Geometry & MOs

Info

ID:	87679
PubChem CID:	49896477
Reduced:	BrClNSO4H17C25 (1)
Stoich.:	ABCDE4F17G25 (1)
Weight, g/mol:	585.00123
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	2.95
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(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=C(C=CC(=C3)Br)OC(=O)C4=CC(=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations