Geometry & MOs

Info

ID:	238600
PubChem CID:	92763356
Reduced:	OSN2C6H12 (2)
Stoich.:	ABC2D6E12 (2)
Weight, g/mol:	320.134068
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	10.36
IP(EA), eV:	-8.66(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethylamino]ethyl]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

C=CCNC(=S)NCCNCCN[C@@H]1CCS(=O)(=O)C1

DOS

IR

Vibrations