Geometry & MOs

Info

ID:	57782
PubChem CID:	24277297
Reduced:	Cl2N2O3H8C12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	240.068097
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	5.47
IP(EA), eV:	-9.69(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations