Geometry & MOs

Info

ID:	171107
PubChem CID:	75329759
Reduced:	BrSCl2N2O5H19C26 (1)
Stoich.:	ABC2D2E5F19G26 (1)
Weight, g/mol:	535.06855
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	6.96
IP(EA), eV:	-8.86(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Cl)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations