Geometry & MOs

Info

ID:	135145
PubChem CID:	51823835
Reduced:	ClN3O5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	408.081364
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	6.81
IP(EA), eV:	-9.52(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-hydroxythiolan-3-yl]-3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)NC2CCCCC2)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations