Geometry & MOs

Info

ID:	217593
PubChem CID:	85088077
Reduced:	S2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	380.17763
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	2.26
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1-[6-(7-methyl-3-oxonona-1,4,6-trien-8-ynyl)cyclohepta-1,3,5-trien-1-yl]nona-1,4,6-trien-8-yn-3-one

Drug info:

PubChemData

Smile

CC1=COC2=C1C(=O)C3CC4(C=CC3(C2OC(=S)SC)C)OCCO4

DOS

IR

Vibrations