Geometry & MOs

Info

ID:	22255
PubChem CID:	596423
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	7.53
IP(EA), eV:	-9.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)O

DOS

IR

Vibrations