Geometry & MOs

Info

ID:	111974
PubChem CID:	50389318
Reduced:	O5N6C30H38 (1)
Stoich.:	A5B6C30D38 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-198.52
Dipole, Da:	9.26
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)N)C(=O)NC4CCCC4

DOS

IR

Vibrations