Geometry & MOs

Info

ID:	382703
PubChem CID:	134974017
Reduced:	FNO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	342.053693
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	5.67
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-thiophen-2-ylbenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC2C(OC(=O)O2)C3=CC=C(C=C3)F)(C)C)C

DOS

IR

Vibrations