Geometry & MOs

Info

ID:	87595
PubChem CID:	49895674
Reduced:	SN2O5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	447.114044
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	4.68
IP(EA), eV:	-9.26(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations