Geometry & MOs

Info

ID:	148171
PubChem CID:	53787833
Reduced:	O3N4C34H36 (1)
Stoich.:	A3B4C34D36 (1)
Weight, g/mol:	427.094368
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	4.48
IP(EA), eV:	-8.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-chloro-3,3-dimethyl-1-[(2R)-1,3-thiazolidin-2-yl]-2H-indol-2-yl]ethenyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCN([C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)CC3=CC=CC=C3)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations