Geometry & MOs

Info

ID:	95308
PubChem CID:	50008022
Reduced:	ClO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	533.15966
ΔH_f, kcal/mol:	-121.11
Dipole, Da:	7.86
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations