Geometry & MOs

Info

ID:	423627
PubChem CID:	135119869
Reduced:	ClSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	340.118985
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	5.37
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-3-yl)-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=C(N2)C=CC=C3Cl

DOS

IR

Vibrations