Geometry & MOs

Info

ID:	371539
PubChem CID:	127346883
Reduced:	NO2S2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	340.182064
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	3.96
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCS1=O)C(=O)C2=CSC=C2

DOS

IR

Vibrations