Geometry & MOs

Info

ID:	116613
PubChem CID:	50568395
Reduced:	ClN5O5C29H38 (1)
Stoich.:	AB5C5D29E38 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-201.25
Dipole, Da:	6.32
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)OCC)Cl

DOS

IR

Vibrations