Geometry & MOs

Info

ID:	88392
PubChem CID:	49903218
Reduced:	BrSN2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	1.94
IP(EA), eV:	-8.69(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)C

DOS

IR

Vibrations