Geometry & MOs

Info

ID:	68285
PubChem CID:	46508116
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	3.31
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-6-propan-2-ylphenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=C(OC=C2)C(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations