Geometry & MOs

Info

ID:	38189
PubChem CID:	8027932
Reduced:	FN2S2O6C15H15 (1)
Stoich.:	AB2C2D6E15F15 (1)
Weight, g/mol:	384.044979
ΔH_f, kcal/mol:	-251.74
Dipole, Da:	6.27
IP(EA), eV:	-9.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3aR,6aS)-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=C(C=C3)F

DOS

IR

Vibrations