Geometry & MOs

Info

ID:	38194
PubChem CID:	8027946
Reduced:	N2S2O6C15H16 (1)
Stoich.:	A2B2C6D15E16 (1)
Weight, g/mol:	383.037154
ΔH_f, kcal/mol:	-203.19
Dipole, Da:	2.62
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[(3aS,6aR)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-2-oxoethoxy]acetate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)O)N2C3=CC=CC=C3

DOS

IR

Vibrations