Geometry & MOs

Info

ID:	46122
PubChem CID:	10522197
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	355.043378
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	3.39
IP(EA), eV:	-9.2(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(C(=O)N2CC(=O)C3CCCCC3)N)C(C)C

DOS

IR

Vibrations