Geometry & MOs

Info

ID:	212824
PubChem CID:	81061907
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	277.055484
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	3.17
IP(EA), eV:	-9.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-ethoxyethyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=NC=C1)C#CCN

DOS

IR

Vibrations