Geometry & MOs

Info

ID:	196268
PubChem CID:	78804375
Reduced:	S2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	3.77
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C1CCOC(C1)COC(=O)C2=CC=C(C=C2)C3SCCCS3

DOS

IR

Vibrations