Geometry & MOs

Info

ID:	197303
PubChem CID:	78951323
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-18.05
Dipole, Da:	3.18
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C(=O)C2=C(C=CS2)C#CCCO

DOS

IR

Vibrations