Geometry & MOs

Info

ID:	34911
PubChem CID:	7979079
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	400.130218
ΔH_f, kcal/mol:	-168.45
Dipole, Da:	4.32
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-chlorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations