Geometry & MOs

Info

ID:

111339

PubChem CID:

50362501

Reduced:

N6O6C39H46 (1)

Stoich.:

A6B6C39D46 (1)

Weight, g/mol:

714.334125

ΔHf, kcal/mol:

-191.34

Dipole, Da:

6.23

IP(EA), eV:

 -8.37(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C(=O)N6CCCC6

DOS

IR

Vibrations