Geometry & MOs

Info

ID:	142142
PubChem CID:	52989158
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-96.17
Dipole, Da:	3.25
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2Z)-2-(3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)hydrazinyl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCC4C(C3)CNN4

DOS

IR

Vibrations