Geometry & MOs

Info

ID:

111419

PubChem CID:

50366040

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

665.334397

ΔHf, kcal/mol:

-271.49

Dipole, Da:

9.58

IP(EA), eV:

 -9.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations