Geometry & MOs

Info

ID:

115126

PubChem CID:

50510369

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-135.06

Dipole, Da:

6.25

IP(EA), eV:

 -8.91(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations