Geometry & MOs

Info

ID:

109556

PubChem CID:

50288079

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-211.01

Dipole, Da:

11.24

IP(EA), eV:

 -8.6(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl)C)F

DOS

IR

Vibrations