Geometry & MOs

Info

ID:	88371
PubChem CID:	49903082
Reduced:	NSO4H19C28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	503.059422
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	4.53
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-5-[5-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations