Geometry & MOs

Info

ID:

111681

PubChem CID:

50377685

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-185.53

Dipole, Da:

5.99

IP(EA), eV:

 -9.02(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations