Geometry & MOs

Info

ID:	28028
PubChem CID:	825151
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	321.100108
ΔH_f, kcal/mol:	45.28
Dipole, Da:	1.41
IP(EA), eV:	-8.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-15-hydroxy-8-methyl-14-oxa-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,12(20),13(18),15-hexaene-17,19-dione

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1N=C(S2)N)N)N

DOS

IR

Vibrations