Geometry & MOs

Info

ID:

111821

PubChem CID:

50382560

Reduced:

N6O6C41H58 (1)

Stoich.:

A6B6C41D58 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-282.05

Dipole, Da:

6.86

IP(EA), eV:

 -8.02(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC)C(=O)NC5CCCC5

DOS

IR

Vibrations