Geometry & MOs

Info

ID:	217605
PubChem CID:	85088093
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	6.3
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)C1=C(CCC2N1C(=O)C2N)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations