Geometry & MOs

Info

ID:	94813
PubChem CID:	50004021
Reduced:	N4O4C29H40 (1)
Stoich.:	A4B4C29D40 (1)
Weight, g/mol:	532.200796
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	8.78
IP(EA), eV:	-8.77(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(3,5-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations