Geometry & MOs

Info

ID:	37956
PubChem CID:	8025895
Reduced:	ClNSO4C19H26 (1)
Stoich.:	ABCD4E19F26 (1)
Weight, g/mol:	360.060235
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	1.93
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl 2,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)Cl)C3CCCCC3

DOS

IR

Vibrations