Geometry & MOs

Info

ID:	100184
PubChem CID:	50059074
Reduced:	Cl2O4N5C30H31 (1)
Stoich.:	A2B4C5D30E31 (1)
Weight, g/mol:	555.284555
ΔH_f, kcal/mol:	-129.07
Dipole, Da:	2.99
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations