Geometry & MOs

Info

ID:

115231

PubChem CID:

50514263

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-241.09

Dipole, Da:

3.03

IP(EA), eV:

 -8.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations