Geometry & MOs

Info

ID:

113881

PubChem CID:

50462411

Reduced:

F2N6O6C39H46 (1)

Stoich.:

A2B6C6D39E46 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-310.37

Dipole, Da:

11.99

IP(EA), eV:

 -8.45(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations