Geometry & MOs

Info

ID:	88042
PubChem CID:	49900113
Reduced:	BrNSCl2O4H18C22 (1)
Stoich.:	ABCD2E4F18G22 (1)
Weight, g/mol:	481.015364
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	2.6
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,6-dimethoxyphenyl] acetate

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)OCC=C

DOS

IR

Vibrations