Geometry & MOs

Info

ID:

102568

PubChem CID:

50068205

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-215.5

Dipole, Da:

5.47

IP(EA), eV:

 -8.93(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations