Geometry & MOs

Info

ID:	26592
PubChem CID:	793162
Reduced:	N2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	224.061949
ΔH_f, kcal/mol:	62.85
Dipole, Da:	2.31
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC3=C(C=C2)N=CC=C3)C

DOS

IR

Vibrations