Geometry & MOs

Info

ID:	11178
PubChem CID:	111575
Reduced:	O2N3S3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	439.142191
ΔH_f, kcal/mol:	-51.16
Dipole, Da:	8.15
IP(EA), eV:	-8.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=C3CN(C(=S)S3)CC(=O)O.CCN(CC)CC

DOS

IR

Vibrations