Geometry & MOs

Info

ID:

97678

PubChem CID:

50033814

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-283.47

Dipole, Da:

11.47

IP(EA), eV:

 -8.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations