Geometry & MOs

Info

ID:

112423

PubChem CID:

50406595

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-239.93

Dipole, Da:

9.71

IP(EA), eV:

 -9.24(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations