Geometry & MOs

Info

ID:	77892
PubChem CID:	49666458
Reduced:	SN3O4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-172.93
Dipole, Da:	3.67
IP(EA), eV:	-9.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(azepan-1-ylsulfonyl)-2-oxopyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C=CC=C(C1=O)S(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations