Geometry & MOs

Info

ID:	139239
PubChem CID:	52497165
Reduced:	ON4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	9.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.221142
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-ethylphenyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC(=O)NC1=CC=CC2=C1C=CN=C2)C3CCCCC3

DOS

IR

Vibrations