Geometry & MOs

Info

ID:	34185
PubChem CID:	7890228
Reduced:	SN3O6C17H19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	361.127385
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	2.87
IP(EA), eV:	-8.83(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-diethoxyphenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(S1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C(=O)OCC)C

DOS

IR

Vibrations