Geometry & MOs

Info

ID:	293039
PubChem CID:	117370845
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	-37.89
Dipole, Da:	5.2
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methyl-1,3-benzothiazol-4-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C3(CC3)CC(=O)O

DOS

IR

Vibrations