Geometry & MOs

Info

ID:

113208

PubChem CID:

50434845

Reduced:

ClF2N6O6C36H39 (1)

Stoich.:

AB2C6D6E36F39 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-294.38

Dipole, Da:

8.17

IP(EA), eV:

 -8.94(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations