Geometry & MOs

Info

ID:	88315
PubChem CID:	49902893
Reduced:	NSI2O3H17C23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	541.01947
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-bromo-2-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations