Geometry & MOs

Info

ID:	61393
PubChem CID:	26708811
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	493.097538
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	9.6
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations