Geometry & MOs

Info

ID:

106513

PubChem CID:

50166197

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-231.01

Dipole, Da:

10.56

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-6-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations