Geometry & MOs

Info

ID:	416628
PubChem CID:	135089850
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	3.47
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations