Geometry & MOs

Info

ID:

98247

PubChem CID:

50041319

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-276.34

Dipole, Da:

6.87

IP(EA), eV:

 -9.07(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations