Geometry & MOs

Info

ID:	221054
PubChem CID:	85256666
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	275.05917
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	2.11
IP(EA), eV:	-10.08(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethyl)-5a,6,7,8,9,9a-hexahydropyrrolo[2,1-c][1,4]benzothiazin-4-one

Drug info:

PubChemData

Smile

CC1C(CC(=O)C2(C1(C(C3C2CC3(C)C)O)O)C)O

DOS

IR

Vibrations