Geometry & MOs

Info

ID:

93401

PubChem CID:

49994829

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-217.17

Dipole, Da:

10.06

IP(EA), eV:

 -8.87(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5

DOS

IR

Vibrations