Geometry & MOs

Info

ID:	120529
PubChem CID:	50731741
Reduced:	ClO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	547.198632
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	9.16
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoyl-2-methylphenyl)-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations