Geometry & MOs

Info

ID:	243166
PubChem CID:	99216300
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	423.125277
ΔH_f, kcal/mol:	11.05
Dipole, Da:	5.98
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CC2=CC=C(C=C2)CNC(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations