Geometry & MOs

Info

ID:	10244
PubChem CID:	99351
Reduced:	BrSN2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	253.95133
ΔH_f, kcal/mol:	67.05
Dipole, Da:	2.58
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)imidazole-2-thiol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N2C=CN=C2S

DOS

IR

Vibrations