Geometry & MOs

Info

ID:	184343
PubChem CID:	77148318
Reduced:	S2F3O3N5C16H20 (1)
Stoich.:	A2B3C3D5E16F20 (1)
Weight, g/mol:	330.143136
ΔH_f, kcal/mol:	-221.46
Dipole, Da:	11.78
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopropylethynyl)-5'-(difluoromethoxy)spiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=NC=C(C=N2)C(C)(C(F)(F)F)O)S(=O)(=O)C3=CC=C(S3)N

DOS

IR

Vibrations