Geometry & MOs

Info

ID:

97091

PubChem CID:

50027827

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-181.66

Dipole, Da:

5.17

IP(EA), eV:

 -8.64(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC

DOS

IR

Vibrations