Geometry & MOs

Info

ID:

108565

PubChem CID:

50250157

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-267.67

Dipole, Da:

6.98

IP(EA), eV:

 -8.72(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-methyl-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)NC(=O)C

DOS

IR

Vibrations