Geometry & MOs

Info

ID:	163656
PubChem CID:	58106554
Reduced:	S2H14C21 (1)
Stoich.:	A2B14C21 (1)
Weight, g/mol:	326.076536
ΔH_f, kcal/mol:	151.85
Dipole, Da:	1.79
IP(EA), eV:	-7.61(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methoxy-14-methyl-13-thiahexacyclo[9.8.2.02,7.08,20.012,16.017,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CCC1=CC2=C3C=CC4=C5C=C(SC5=C6C4=C3C(=C2S1)C=C6)C

DOS

IR

Vibrations