Geometry & MOs

Info

ID:	171191
PubChem CID:	75341692
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	514.096535
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	9.19
IP(EA), eV:	-8.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C4C(=O)N(C(=O)S4)CC(=O)N5CCCCC5

DOS

IR

Vibrations