Geometry & MOs

Info

ID:	131592
PubChem CID:	51231670
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	6.97
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations