Geometry & MOs

Info

ID:	77889
PubChem CID:	49666419
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	6.24
IP(EA), eV:	-8.75(-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-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C=CC=C(C2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations