Geometry & MOs

Info

ID:	139358
PubChem CID:	52516628
Reduced:	N3O3C23H26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	359.109233
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	17.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.875773
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

DOS

IR

Vibrations