Geometry & MOs

Info

ID:

113915

PubChem CID:

50463553

Reduced:

SF2O4N5C35H39 (1)

Stoich.:

AB2C4D5E35F39 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-216.35

Dipole, Da:

5.0

IP(EA), eV:

 -8.4(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)SC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations