Geometry & MOs

Info

ID:	87978
PubChem CID:	49899274
Reduced:	SCl2N2O3H18C19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	621.00123
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	5.57
IP(EA), eV:	-8.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(O1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations