Geometry & MOs

Info

ID:

113039

PubChem CID:

50429843

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-241.37

Dipole, Da:

3.97

IP(EA), eV:

 -8.69(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations