Geometry & MOs

Info

ID:	442698
PubChem CID:	135255830
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	432.16722
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	6.21
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (3S)-3-[(3E,5Z)-5-cyano-4-fluorohepta-1,3,5-trien-2-yl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=NC=C1)CC2=CC=C(C=C2)S(=O)(=O)Cl

DOS

IR

Vibrations