Geometry & MOs

Info

ID:	329091
PubChem CID:	126731226
Reduced:	PF2N4O7C23H27 (1)
Stoich.:	AB2C4D7E23F27 (1)
Weight, g/mol:	554.174193
ΔH_f, kcal/mol:	-420.58
Dipole, Da:	11.64
IP(EA), eV:	-8.84(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-7-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC5=C(CC(N5)(C)C)C=C4)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC5=C(CC(N5)(C)C)C=C4)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):