Geometry & MOs

Info

ID:

132573

PubChem CID:

51381413

Reduced:

ON3C10H10 (2)

Stoich.:

AB3C10D10 (2)

Weight, g/mol:

579.086699

ΔHf, kcal/mol:

108.86

Dipole, Da:

4.59

IP(EA), eV:

 -9.01(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl (2Z,5S)-5-(2-chlorophenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NNC(=C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations