Geometry & MOs

Info

ID:	88464
PubChem CID:	49903630
Reduced:	SBr2N2O5H12C18 (1)
Stoich.:	AB2C2D5E12F18 (1)
Weight, g/mol:	554.055064
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	6.11
IP(EA), eV:	-9.4(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br

DOS

IR

Vibrations