Geometry & MOs

Info

ID:	171093
PubChem CID:	75327214
Reduced:	SN3O3H29C31 (1)
Stoich.:	AB3C3D29E31 (1)
Weight, g/mol:	621.00123
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	9.73
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)N(C(=O)S4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations