Geometry & MOs

Info

ID:

97765

PubChem CID:

50034619

Reduced:

F2N5O5C33H37 (1)

Stoich.:

A2B5C5D33E37 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-253.25

Dipole, Da:

3.33

IP(EA), eV:

 -8.3(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations