Geometry & MOs

Info

ID:

120435

PubChem CID:

50727088

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-233.65

Dipole, Da:

4.37

IP(EA), eV:

 -9.01(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations