Geometry & MOs

Info

ID:

98986

PubChem CID:

50047754

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-238.44

Dipole, Da:

10.63

IP(EA), eV:

 -8.62(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-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)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations