Geometry & MOs

Info

ID:

95366

PubChem CID:

50008812

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-241.09

Dipole, Da:

6.99

IP(EA), eV:

 -8.77(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC

DOS

IR

Vibrations