Geometry & MOs

Info

ID:

108629

PubChem CID:

50252000

Reduced:

FN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-273.85

Dipole, Da:

7.95

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC)C

DOS

IR

Vibrations