Geometry & MOs

Info

ID:	130258
PubChem CID:	51075408
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	3.88
IP(EA), eV:	-9.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(3-phenylprop-2-ynyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations