Geometry & MOs

Info

ID:	244750
PubChem CID:	99381396
Reduced:	FO2S2N3H22C24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	3.14
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)[C@H](S1)CC2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations