Geometry & MOs

Info

ID:	416496
PubChem CID:	135089511
Reduced:	N2S2O3C15H24 (1)
Stoich.:	A2B2C3D15E24 (1)
Weight, g/mol:	399.171559
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	6.69
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(3-ethyl-4-methoxyphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CSC(=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations