Geometry & MOs

Info

ID:	54649
PubChem CID:	17389042
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	657.156971
ΔH_f, kcal/mol:	14.58
Dipole, Da:	10.77
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-5-(2-methoxynaphthalen-1-yl)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C(/C#N)\C(=O)NC3CCCCC3

DOS

IR

Vibrations