Geometry & MOs

Info

ID:

113031

PubChem CID:

50429704

Reduced:

FN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-235.47

Dipole, Da:

4.36

IP(EA), eV:

 -8.62(-0.52)

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-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C)OC

DOS

IR

Vibrations