Geometry & MOs

Info

ID:	77908
PubChem CID:	49671357
Reduced:	SN5O5C23H33 (1)
Stoich.:	AB5C5D23E33 (1)
Weight, g/mol:	391.031289
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	5.74
IP(EA), eV:	-7.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dichlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations