Geometry & MOs

Info

ID:	168896
PubChem CID:	75038208
Reduced:	NSO10C31H47 (1)
Stoich.:	ABC10D31E47 (1)
Weight, g/mol:	392.178327
ΔH_f, kcal/mol:	-432.81
Dipole, Da:	8.84
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-1-(1,1,1-trifluoro-3-phenylpropan-2-yl)oxy-3,4-dihydro-2H-1-benzosiline

Drug info:

PubChemData

Smile

CC1CCCC=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)OC2C(C(C(O2)CO)O)O)C(=CC3=CSC(=N3)C)CO

DOS

IR

Vibrations