Geometry & MOs

Info

ID:	61901
PubChem CID:	26715537
Reduced:	FSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	345.122575
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	7.36
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations