Geometry & MOs

Info

ID:	124067
PubChem CID:	50871748
Reduced:	SO3N4H14C19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	454.109962
ΔH_f, kcal/mol:	52.85
Dipole, Da:	6.94
IP(EA), eV:	-8.58(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-anilino-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])/C=C/4\C(=O)NC(=S)N4

DOS

IR

Vibrations