Geometry & MOs

Info

ID:	87321
PubChem CID:	49894011
Reduced:	BrSN2O5H21C26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	509.09668
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	4.58
IP(EA), eV:	-8.9(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

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)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations