Geometry & MOs

Info

ID:	57905
PubChem CID:	24278407
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-14.41
Dipole, Da:	7.38
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-(aminomethyl)-3H-1,3-thiazol-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3

DOS

IR

Vibrations