Geometry & MOs

Info

ID:

112913

PubChem CID:

50425537

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-233.3

Dipole, Da:

5.71

IP(EA), eV:

 -8.46(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations