Geometry & MOs

Info

ID:	329090
PubChem CID:	126731224
Reduced:	PF2N4O7C23H27 (1)
Stoich.:	AB2C4D7E23F27 (1)
Weight, g/mol:	540.158543
ΔH_f, kcal/mol:	-420.04
Dipole, Da:	8.04
IP(EA), eV:	-8.55(-0.97)
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-1,3-dihydroindole-6-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

CC1CCC2=C(N1)C=C(C=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@H]5[C@H](O4)COP(=O)(O5)OC(C)C)(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

CC1CCC2=C(N1)C=C(C=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@H]5[C@H](O4)COP(=O)(O5)OC(C)C)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):