Geometry & MOs

Info

ID:	59616
PubChem CID:	24890468
Reduced:	ON8C24H28 (1)
Stoich.:	AB8C24D28 (1)
Weight, g/mol:	446.144633
ΔH_f, kcal/mol:	96.48
Dipole, Da:	7.08
IP(EA), eV:	-8.09(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-2-(3-imino-5-methylsulfonyl-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(N4C3=NC=N4)C5=CC(=NC=C5)CO

DOS

IR

Vibrations