Geometry & MOs

Info

ID:	169018
PubChem CID:	75054875
Reduced:	N5O8C38H55 (1)
Stoich.:	A5B8C38D55 (1)
Weight, g/mol:	373.046548
ΔH_f, kcal/mol:	-331.51
Dipole, Da:	8.15
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-cyano-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CCCC1)NC(=O)C2CC3CN2C(=O)C(NC(=O)OCCCCCCC4=C5CN(CC5=CC=C4)C(=O)O3)C(C)(C)C

DOS

IR

Vibrations