Geometry & MOs

Info

ID:	22376
PubChem CID:	597052
Reduced:	N2S2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	372.060235
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	2.56
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=CC=C4

DOS

IR

Vibrations