Geometry & MOs

Info

ID:	187765
PubChem CID:	77621407
Reduced:	N2S2F3O5H31C34 (1)
Stoich.:	A2B2C3D5E31F34 (1)
Weight, g/mol:	445.181313
ΔH_f, kcal/mol:	-284.1
Dipole, Da:	4.88
IP(EA), eV:	-8.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N-(2-oxo-7-phenylazepan-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)CCSC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations