Geometry & MOs

Info

ID:	386956
PubChem CID:	134983495
Reduced:	SH18C21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	548.09937
ΔH_f, kcal/mol:	103.51
Dipole, Da:	1.71
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C\1C=CC=C/C1=C\C(C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations