Geometry & MOs

Info

ID:	28500
PubChem CID:	827981
Reduced:	INSH4C7 (1)
Stoich.:	ABCD4E7 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	72.97
Dipole, Da:	2.02
IP(EA), eV:	-9.28(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(1-methylbenzimidazol-2-yl)-1-phenylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)I

DOS

IR

Vibrations