Geometry & MOs

Info

ID:	88290
PubChem CID:	49902785
Reduced:	BrNSO3H16C23 (1)
Stoich.:	ABCD3E16F23 (1)
Weight, g/mol:	585.98679
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	3.08
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations