Geometry & MOs

Info

ID:	315950
PubChem CID:	126629479
Reduced:	N2O5C30H34 (1)
Stoich.:	A2B5C30D34 (1)
Weight, g/mol:	394.07145
ΔH_f, kcal/mol:	-151.38
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-methylphenyl)-2-(4-methoxycyclohexyl)-4-methyl-1H-imidazole-5-thione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](CCCC(C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations