Geometry & MOs

Info

ID:	88334
PubChem CID:	49902963
Reduced:	BrNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	549.047143
ΔH_f, kcal/mol:	-23.48
Dipole, Da:	3.93
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations