Geometry & MOs

Info

ID:	120530
PubChem CID:	50731742
Reduced:	ClO4N5C29H30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	639.224847
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	7.11
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(2-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations