Geometry & MOs

Info

ID:	93825
PubChem CID:	49997026
Reduced:	FO3N4C31H41 (1)
Stoich.:	AB3C4D31E41 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-181.57
Dipole, Da:	0.86
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C)F

DOS

IR

Vibrations