Geometry & MOs

Info

ID:	77890
PubChem CID:	49666420
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-142.87
Dipole, Da:	4.23
IP(EA), eV:	-9.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(azepan-1-ylsulfonyl)-2-oxopyridin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C=CC=C(C2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations