Geometry & MOs

Info

ID:	62082
PubChem CID:	26717494
Reduced:	OCl2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	3.07
IP(EA), eV:	-9.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=NC=C2

DOS

IR

Vibrations