Geometry & MOs

Info

ID:	120029
PubChem CID:	50711949
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	611.07017
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	7.17
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-chloroanilino)-3-oxopropyl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations