Geometry & MOs

Info

ID:	38393
PubChem CID:	8034633
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	335.109233
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	4.37
IP(EA), eV:	-9.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@H]4C2=O)C(=O)NCC5=CN=CC=C5

DOS

IR

Vibrations