Geometry & MOs

Info

ID:	124069
PubChem CID:	50871750
Reduced:	N3O4H17C22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	380.06532
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	6.45
IP(EA), eV:	-9.45(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)/C(=O)NC1=O

DOS

IR

Vibrations