Geometry & MOs

Info

ID:

112511

PubChem CID:

50409640

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-185.62

Dipole, Da:

2.88

IP(EA), eV:

 -8.97(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations