Geometry & MOs

Info

ID:	178547
PubChem CID:	76347279
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	19.11
Dipole, Da:	7.49
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCCCC1CC(NN1)C2=CC=CC=C2)C(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations