Geometry & MOs

Info

ID:	378031
PubChem CID:	134224099
Reduced:	OC8H17 (2)
Stoich.:	AB8C17 (2)
Weight, g/mol:	435.097225
ΔH_f, kcal/mol:	-158.93
Dipole, Da:	2.98
IP(EA), eV:	-9.48(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3-chloro-4-fluorophenyl)-7-[(E)-2-(methylideneamino)-1-(2-methylphenyl)ethenyl]-1-benzothiophene-2,3-diamine

Drug info:

PubChemData

Smile

CC(C)OCCC(C)(C)COCCCC(C)(C)C

DOS

IR

Vibrations