Geometry & MOs

Info

ID:	53018
PubChem CID:	14709406
Reduced:	Cl2N2O2S2H12C21 (1)
Stoich.:	A2B2C2D2E12F21 (1)
Weight, g/mol:	336.035083
ΔH_f, kcal/mol:	21.88
Dipole, Da:	4.39
IP(EA), eV:	-9.39(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-amino-2-(4-oxo-5-phenyldiazenyl-1,3-thiazol-2-yl)ethenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N/C(=C\C3=NC(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3)/S2)Cl

DOS

IR

Vibrations