Geometry & MOs

Info

ID:

109576

PubChem CID:

50289089

Reduced:

FN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-223.08

Dipole, Da:

6.16

IP(EA), eV:

 -8.87(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations