Geometry & MOs

Info

ID:	166943
PubChem CID:	74757734
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	405.036377
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	4.17
IP(EA), eV:	-9.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CCC(=O)OCC3=CC(=CC=C3)C#N)CC(C)C

DOS

IR

Vibrations