Geometry & MOs

Info

ID:	88321
PubChem CID:	49902924
Reduced:	BrSN2O5H25C28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	542.037306
ΔH_f, kcal/mol:	-118.94
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations