Geometry & MOs

Info

ID:	132834
PubChem CID:	51429003
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	403.116604
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	3.87
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@H](CSC2=NC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations