Geometry & MOs

Info

ID:	408679
PubChem CID:	135081447
Reduced:	SN4H8C13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	276.151415
ΔH_f, kcal/mol:	119.85
Dipole, Da:	0.79
IP(EA), eV:	-8.63(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,17R)-1,8,15,17-tetramethyl-16-oxapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N=CN=C4N3C(=NC=C4)S2

DOS

IR

Vibrations