Geometry & MOs

Info

ID:	416236
PubChem CID:	135089246
Reduced:	ClSN4O4C13H21 (1)
Stoich.:	ABC4D4E13F21 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	3.57
IP(EA), eV:	-9.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-fluoro-6-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations