Geometry & MOs

Info

ID:	188138
PubChem CID:	77672430
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	427.973355
ΔH_f, kcal/mol:	12.23
Dipole, Da:	12.14
IP(EA), eV:	-7.99(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

DOS

IR

Vibrations