Geometry & MOs

Info

ID:	170279
PubChem CID:	75214661
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	476.350175
ΔH_f, kcal/mol:	69.89
Dipole, Da:	3.03
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2',2',3',3',7,9,13-heptamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol

Drug info:

PubChemData

Smile

CC(C1=C(SC2=CC=CC=C21)CCN(C)C)N3C=CC=N3

DOS

IR

Vibrations