Geometry & MOs

Info

ID:	88382
PubChem CID:	49903110
Reduced:	NSBr2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	682.86658
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	6.29
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations