Geometry & MOs

Info

ID:	105133
PubChem CID:	50106451
Reduced:	N3O3C15H19 (2)
Stoich.:	A3B3C15D19 (2)
Weight, g/mol:	576.306018
ΔH_f, kcal/mol:	-223.03
Dipole, Da:	6.73
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N4CCOCC4

DOS

IR

Vibrations