Geometry & MOs

Info

ID:

105116

PubChem CID:

50106403

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

566.211153

ΔHf, kcal/mol:

-196.5

Dipole, Da:

5.35

IP(EA), eV:

 -8.87(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations