Geometry & MOs

Info

ID:	187773
PubChem CID:	77621940
Reduced:	F2N3O4C30H31 (1)
Stoich.:	A2B3C4D30E31 (1)
Weight, g/mol:	535.228263
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	4.07
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N-(1-methyl-2-oxo-4,7-diphenylazepan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(CCC(N(C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(C4=CC(=CC(=C4)F)F)O

DOS

IR

Vibrations