Geometry & MOs

Info

ID:

119838

PubChem CID:

50704195

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-186.93

Dipole, Da:

10.58

IP(EA), eV:

 -8.66(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations