Geometry & MOs

Info

ID:

109411

PubChem CID:

50283308

Reduced:

FN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-204.04

Dipole, Da:

3.92

IP(EA), eV:

 -8.83(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-methoxybenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations