Geometry & MOs

Info

ID:	144594
PubChem CID:	53387449
Reduced:	NSF2O2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	449.088419
ΔH_f, kcal/mol:	-127.55
Dipole, Da:	1.81
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R,7aS)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]thiazolo[3,4-c][1,3]oxazol-7a-yl]methanol

Drug info:

PubChemData

Smile

C1[C@]2(CS[C@@H](N2[C@H](O1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CO

DOS

IR

Vibrations