Geometry & MOs

Info

ID:	87678
PubChem CID:	49896474
Reduced:	ClNSO4H24C27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	540.97502
ΔH_f, kcal/mol:	-90.37
Dipole, Da:	3.28
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4C)OC)/SC2=O

DOS

IR

Vibrations