Geometry & MOs

Info

ID:	171197
PubChem CID:	75343014
Reduced:	SN3O9H21C26 (1)
Stoich.:	AB3C9D21E26 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	7.76
IP(EA), eV:	-8.83(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=C(C(=CC=C3)OC)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])SC2=O

DOS

IR

Vibrations