Geometry & MOs

Info

ID:

115609

PubChem CID:

50528468

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-201.52

Dipole, Da:

10.17

IP(EA), eV:

 -8.61(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6F)Cl

DOS

IR

Vibrations