Geometry & MOs

Info

ID:

107480

PubChem CID:

50204780

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-226.8

Dipole, Da:

6.16

IP(EA), eV:

 -8.56(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C

DOS

IR

Vibrations