Geometry & MOs

Info

ID:	423712
PubChem CID:	135120060
Reduced:	ClFON3C16H17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	327.130443
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(2-fluorophenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2CC(C2)N3C(=CC(=N3)C)C)Cl

DOS

IR

Vibrations