Geometry & MOs

Info

ID:

92061

PubChem CID:

49982360

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-218.96

Dipole, Da:

7.25

IP(EA), eV:

 -9.13(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations