Geometry & MOs

Info

ID:

115588

PubChem CID:

50527941

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-237.84

Dipole, Da:

3.35

IP(EA), eV:

 -8.3(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F)NC(=O)C6=CC(=CC=C6)F

DOS

IR

Vibrations