Geometry & MOs

Info

ID:	171027
PubChem CID:	75313960
Reduced:	ISCl2N2O5H23C28 (1)
Stoich.:	ABC2D2E5F23G28 (1)
Weight, g/mol:	529.042057
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations