Geometry & MOs

Info

ID:	86612
PubChem CID:	49887612
Reduced:	BrClSN2O2H18C23 (1)
Stoich.:	ABCD2E2F18G23 (1)
Weight, g/mol:	515.026407
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	7.72
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations