Geometry & MOs

Info

ID:	16627
PubChem CID:	474029
Reduced:	SCl2N3O3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	451.052418
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	5.36
IP(EA), eV:	-9.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,5-dichlorophenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)CO)CC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations