Geometry & MOs

Info

ID:	107677
PubChem CID:	50214648
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	518.185146
ΔH_f, kcal/mol:	-131.54
Dipole, Da:	7.73
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(3,4-dichlorophenyl)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(=C3)Cl)C)C

DOS

IR

Vibrations