Geometry & MOs

Info

ID:	87825
PubChem CID:	49897758
Reduced:	SBr2N2O5H14C19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	529.075072
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	6.91
IP(EA), eV:	-8.89(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)Br)O

DOS

IR

Vibrations