Geometry & MOs

Info

ID:	54900
PubChem CID:	17389510
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	287.003448
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	2.6
IP(EA), eV:	-8.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1CN2C3=C1C=CC=C3C(=C2C4=CN=CC=C4)CCCCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations