Geometry & MOs

Info

ID:	77891
PubChem CID:	49666423
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	355.156577
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	6.12
IP(EA), eV:	-8.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(azepan-1-ylsulfonyl)-2-oxopyridin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C=CC=C(C2=O)S(=O)(=O)N3CCCCCC3)C

DOS

IR

Vibrations