Geometry & MOs

Info

ID:	158391
PubChem CID:	56463556
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	407.224263
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	8.27
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylmorpholin-4-yl)-[1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations