Geometry & MOs

Info

ID:	425638
PubChem CID:	135127051
Reduced:	N2O7C20H24 (1)
Stoich.:	A2B7C20D24 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	-268.26
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,7a-dihydro-2,1,3-benzothiadiazol-4-yl)-2-aminopropanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC(=C1)O)C2=C(C=CC(=C2OC)O)C[C@@H](C(=O)O)N)(C(=O)O)N

DOS

IR

Vibrations