Geometry & MOs

Info

ID:	60416
PubChem CID:	26685037
Reduced:	F2O2N3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	373.094167
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022399
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=C(C=C1)OC(F)F)OC)CC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations