Geometry & MOs

Info

ID:	68721
PubChem CID:	46508977
Reduced:	SO2N5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	94.91
Dipole, Da:	3.81
IP(EA), eV:	-9.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(O3)C4=CN=CC=C4

DOS

IR

Vibrations