Geometry & MOs

Info

ID:	181837
PubChem CID:	76801211
Reduced:	SO2F3N5H22C24 (1)
Stoich.:	AB2C3D5E22F24 (1)
Weight, g/mol:	561.327666
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	3.51
IP(EA), eV:	-9.27(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(5-tert-butylthiophen-2-yl)-1-dodecyl-3,3-dimethylindol-2-ylidene]methyl]-4-hydroxycyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)CC(CNC2=NC(=C(S2)C3=CC4=CC(=NC=C4C=C3)F)C(=O)OC)N)(F)F

DOS

IR

Vibrations