Geometry & MOs

Info

ID:	208847
PubChem CID:	80593415
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	260.101706
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	2.17
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-sulfanylidenepentan-3-yl)thiane-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(C)C(=O)C1(CCC1)C(=S)N

DOS

IR

Vibrations