Geometry & MOs

Info

ID:	380161
PubChem CID:	134970371
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	490.20826
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	6.66
IP(EA), eV:	-8.81(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S,9S,13R)-19-bromo-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)N)/N=C\2/C(=CC3=CC=CC=C3O2)C(=O)N)C

DOS

IR

Vibrations