Geometry & MOs

Info

ID:	147922
PubChem CID:	53787582
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	342.064983
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	6.95
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-d][1,3]thiazole-4,6-diol

Drug info:

PubChemData

Smile

C1CCC(C1)CCCC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCC5=CC=CC=N5

DOS

IR

Vibrations