Geometry & MOs

Info

ID:	16242
PubChem CID:	462649
Reduced:	OS2N3C6H7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	201.003054
ΔH_f, kcal/mol:	55.3
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(azidomethyl)dithiin-3-yl]methanol

Drug info:

PubChemData

Smile

C1=C(SSC(=C1)CO)CN=[N+]=[N-]

DOS

IR

Vibrations