Geometry & MOs

Info

ID:	309177
PubChem CID:	126539572
Reduced:	NSC18H33 (1)
Stoich.:	ABC18D33 (1)
Weight, g/mol:	588.234768
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	2.94
IP(EA), eV:	-8.46(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis[4-(N-methylanilino)phenyl]methylidene]-2-methylimino-4-phenylthiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1C(C2C(CC2C3C1[C@](C3)(C)SCC)C)CNC

DOS

IR

Vibrations