Geometry & MOs

Info

ID:	87701
PubChem CID:	49896636
Reduced:	BrNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	537.02456
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	3.6
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

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)/SC2=O

DOS

IR

Vibrations