Geometry & MOs

Info

ID:	91947
PubChem CID:	49980639
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-167.93
Dipole, Da:	3.63
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations