Geometry & MOs

Info

ID:	139456
PubChem CID:	52533673
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	438.122498
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	5.24
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[2-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N(C)[C@H](C)C2=CC=CC=C2)C

DOS

IR

Vibrations