Geometry & MOs

Info

ID:	88078
PubChem CID:	49900599
Reduced:	BrClSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	459.114044
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	2.2
IP(EA), eV:	-9.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC(=O)NC4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations