Geometry & MOs

Info

ID:

113755

PubChem CID:

50457367

Reduced:

F4O4N5C33H35 (1)

Stoich.:

A4B4C5D33E35 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-341.06

Dipole, Da:

9.55

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations