Geometry & MOs

Info

ID:	178537
PubChem CID:	76344033
Reduced:	OSN5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	443.00382
ΔH_f, kcal/mol:	67.34
Dipole, Da:	4.41
IP(EA), eV:	-9.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 3-bromo-2-hydroxy-5-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2CC(NN2)NC(=O)C3=CN=C(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations