Geometry & MOs

Info

ID:	38193
PubChem CID:	8027945
Reduced:	N2S2O6C15H15 (1)
Stoich.:	A2B2C6D15E15 (1)
Weight, g/mol:	384.044979
ΔH_f, kcal/mol:	-148.46
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821282
Charge, e:	0

Chem-info

IUPAC name:

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

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