Geometry & MOs

Info

ID:	132570
PubChem CID:	51380475
Reduced:	ClN2O2S2H17C19 (1)
Stoich.:	AB2C2D2E17F19 (1)
Weight, g/mol:	485.117118
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	5.98
IP(EA), eV:	-8.68(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=S

DOS

IR

Vibrations