Geometry & MOs

Info

ID:	91967
PubChem CID:	49981068
Reduced:	ClO4N5C34H44 (1)
Stoich.:	AB4C5D34E44 (1)
Weight, g/mol:	549.295119
ΔH_f, kcal/mol:	-184.02
Dipole, Da:	10.02
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations