Geometry & MOs

Info

ID:	327609
PubChem CID:	126690515
Reduced:	F6N9O12H59C71 (1)
Stoich.:	A6B9C12D59E71 (1)
Weight, g/mol:	220.038043
ΔH_f, kcal/mol:	-502.55
Dipole, Da:	10.34
IP(EA), eV:	-9.44(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-5-methylidenedithiole

Drug info:

Smile

CC1=C(C=C(C=C1)CCCC2=NC(=NO2)C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F)COC6=CC(=C(C=C6)CC(=O)NC7=CC=C(C=C7)C(=O)N(CC8=CC=C(C=C8)C9=NC(=NO9)C1=CC=CC=N1)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations