Geometry & MOs

Info

ID:	36488
PubChem CID:	8007511
Reduced:	ClSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	7.83
IP(EA), eV:	-9.84(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1H-benzimidazol-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations