Geometry & MOs

Info

ID:	376688
PubChem CID:	134222711
Reduced:	NO5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	213.061221
ΔH_f, kcal/mol:	-206.52
Dipole, Da:	3.26
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-phenylpyrrolo[2,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CC[C@@H]1O)(C)CCC2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)O)OC)O

DOS

IR

Vibrations