Geometry & MOs

Info

ID:	68286
PubChem CID:	46508118
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	4.83
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations