Geometry & MOs

Info

ID:

95225

PubChem CID:

50007329

Reduced:

O4N5C34H49 (1)

Stoich.:

A4B5C34D49 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-200.85

Dipole, Da:

8.01

IP(EA), eV:

 -8.52(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations