Geometry & MOs

Info

ID:	165738
PubChem CID:	74589429
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	434.088079
ΔH_f, kcal/mol:	-16.91
Dipole, Da:	15.61
IP(EA), eV:	-5.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(2,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C2C(C3(CC[NH+](CC3)CC4=CC=C(C=C4)O)C5=CC=CC=C25)O

DOS

IR

Vibrations