Geometry & MOs

Info

ID:

96345

PubChem CID:

50019874

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-262.73

Dipole, Da:

4.93

IP(EA), eV:

 -8.47(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations