Geometry & MOs

Info

ID:	77888
PubChem CID:	49666418
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-154.05
Dipole, Da:	4.42
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations