Geometry & MOs

Info

ID:	54656
PubChem CID:	17389052
Reduced:	SO3N4H26C30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	522.161328
ΔH_f, kcal/mol:	73.73
Dipole, Da:	1.6
IP(EA), eV:	-8.72(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=C/3\C(=O)N(C(=NCC4=CC=CC=C4)S3)CC5=CC=CC=C5

DOS

IR

Vibrations