Geometry & MOs

Info

ID:	60014
PubChem CID:	26664482
Reduced:	ClNO4H18C23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	4.1
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations