Geometry & MOs

Info

ID:	292111
PubChem CID:	114463145
Reduced:	SN2O5C8H16 (1)
Stoich.:	AB2C5D8E16 (1)
Weight, g/mol:	310.076947
ΔH_f, kcal/mol:	-199.26
Dipole, Da:	4.17
IP(EA), eV:	-9.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]sulfonylcarbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NS(=O)(=O)N1CCCCO1

DOS

IR

Vibrations