Geometry & MOs

Info

ID:	138937
PubChem CID:	52446296
Reduced:	NSF2O2H12C18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778742
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[(2S)-2-ethylpiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC(=C(C=C3)F)F)/CCC(=O)[O-]

DOS

IR

Vibrations