Geometry & MOs

Info

ID:	417003
PubChem CID:	135091079
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	6.38
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)CC2=CC3=C(C=C(C=C3)SC)NC2=O)C(=O)O

DOS

IR

Vibrations