Geometry & MOs

Info

ID:

97411

PubChem CID:

50031281

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-214.83

Dipole, Da:

14.8

IP(EA), eV:

 -8.54(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations