Geometry & MOs

Info

ID:	88161
PubChem CID:	49901945
Reduced:	BrSN2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	604.94661
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	1.98
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br)C

DOS

IR

Vibrations