Geometry & MOs

Info

ID:	93908
PubChem CID:	49997625
Reduced:	O4N5C34H47 (1)
Stoich.:	A4B5C34D47 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-190.22
Dipole, Da:	6.99
IP(EA), eV:	-8.9(-0.3)
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-(piperidine-1-carbonyl)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=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations