Geometry & MOs

Info

ID:	226165
PubChem CID:	87326004
Reduced:	SN2O3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	201.040322
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	2.17
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)OC2=C3C(=CS2)NC=N3

DOS

IR

Vibrations