Geometry & MOs

Info

ID:	171205
PubChem CID:	75344024
Reduced:	SN3O6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	7.84
IP(EA), eV:	-8.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCOC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations