Geometry & MOs

Info

ID:	296044
PubChem CID:	117552545
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	295.99828
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	2.94
IP(EA), eV:	-8.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanethiol

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=C(NC(=N2)CCS)C

DOS

IR

Vibrations