Geometry & MOs

Info

ID:	56089
PubChem CID:	17404328
Reduced:	S2O3N4C24H24 (1)
Stoich.:	A2B3C4D24E24 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	3.81
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N(C)C3=CC=CC=C3C(=O)NCC4=CC=CO4)C

DOS

IR

Vibrations