Geometry & MOs

Info

ID:	93896
PubChem CID:	49997556
Reduced:	ClO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	583.292532
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	5.59
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations