Geometry & MOs

Info

ID:

99400

PubChem CID:

50050625

Reduced:

F2O4N5C39H41 (1)

Stoich.:

A2B4C5D39E41 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-203.36

Dipole, Da:

3.36

IP(EA), eV:

 -8.87(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-6-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations