Geometry & MOs

Info

ID:

117848

PubChem CID:

50618025

Reduced:

ClN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-189.49

Dipole, Da:

7.35

IP(EA), eV:

 -8.5(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations