Geometry & MOs

Info

ID:

111080

PubChem CID:

50351336

Reduced:

F3O4N5C30H38 (1)

Stoich.:

A3B4C5D30E38 (1)

Weight, g/mol:

631.26921

ΔHf, kcal/mol:

-319.06

Dipole, Da:

6.12

IP(EA), eV:

 -8.9(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations