Geometry & MOs

Info

ID:	66038
PubChem CID:	46488282
Reduced:	FO3N5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	427.102434
ΔH_f, kcal/mol:	8.46
Dipole, Da:	5.68
IP(EA), eV:	-9.02(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations