Geometry & MOs

Info

ID:

113927

PubChem CID:

50464908

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-239.21

Dipole, Da:

2.84

IP(EA), eV:

 -8.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5)C)F

DOS

IR

Vibrations