Geometry & MOs

Info

ID:	424453
PubChem CID:	135122721
Reduced:	NSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	188.087101
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	1.53
IP(EA), eV:	-9.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl thiane-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(SN=C1)C

DOS

IR

Vibrations