Geometry & MOs

Info

ID:

103790

PubChem CID:

50073197

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-223.85

Dipole, Da:

2.83

IP(EA), eV:

 -8.23(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]-1-[1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations