Geometry & MOs

Info

ID:

115118

PubChem CID:

50509752

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

750.354111

ΔHf, kcal/mol:

-233.01

Dipole, Da:

10.71

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations