Geometry & MOs

Info

ID:	440599
PubChem CID:	135230596
Reduced:	FO4N7C25H30 (1)
Stoich.:	AB4C7D25E30 (1)
Weight, g/mol:	591.240559
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	7.21
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

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

C[C@H]1[C@@H](CN(O1)CCF)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=C(N=C4)OC)C(=O)NC)C

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

C[C@H]1[C@@H](CN(O1)CCF)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=C(N=C4)OC)C(=O)NC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):