Geometry & MOs

Info

ID:	171250
PubChem CID:	75349372
Reduced:	ClNSO5H24C30 (1)
Stoich.:	ABCD5E24F30 (1)
Weight, g/mol:	541.096201
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	7.24
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-chloro-6-ethoxy-4-[[3-(2-naphthalen-1-yloxyethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC3=CC=CC=C32)C=C4C(=O)N(C(=O)S4)CCOC5=CC=C(C=C5)Cl

DOS

IR

Vibrations