Geometry & MOs

Info

ID:	292112
PubChem CID:	114463637
Reduced:	S2N4O4C9H18 (1)
Stoich.:	A2B4C4D9E18 (1)
Weight, g/mol:	306.136176
ΔH_f, kcal/mol:	-159.21
Dipole, Da:	3.68
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylcarbamate

Drug info:

PubChemData

Smile

CC(C(=S)N)N1CCN(CC1)S(=O)(=O)NC(=O)OC

DOS

IR

Vibrations