Geometry & MOs

Info

ID:	139176
PubChem CID:	52485972
Reduced:	SF2N2O2C15H22 (1)
Stoich.:	AB2C2D2E15F22 (1)
Weight, g/mol:	364.11246
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	4.22
IP(EA), eV:	-8.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@H](C)CNS(=O)(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations