Geometry & MOs

Info

ID:

113565

PubChem CID:

50451242

Reduced:

F3N6O6C41H41 (1)

Stoich.:

A3B6C6D41E41 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-305.24

Dipole, Da:

6.28

IP(EA), eV:

 -9.0(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(4-methylbenzoyl)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)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations