Geometry & MOs

Info

ID:	87876
PubChem CID:	49898232
Reduced:	BrNSCl2O4H16C20 (1)
Stoich.:	ABCD2E4F16G20 (1)
Weight, g/mol:	606.98558
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	6.15
IP(EA), eV:	-8.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)Br)OC

DOS

IR

Vibrations