Geometry & MOs

Info

ID:	53730
PubChem CID:	14717821
Reduced:	NS2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	252.049469
ΔH_f, kcal/mol:	-141.37
Dipole, Da:	1.7
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)([C@H](C(=O)O)N1C=C2C=CC=CC2=C1SCCC(=O)O)S

DOS

IR

Vibrations