Geometry & MOs

Info

ID:	107717
PubChem CID:	50216151
Reduced:	O4N5C32H43 (1)
Stoich.:	A4B5C32D43 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-165.67
Dipole, Da:	8.05
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[5-chloro-2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N4CCCC4)C)C

DOS

IR

Vibrations