Geometry & MOs

Info

ID:	172085
PubChem CID:	75464477
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	485.071528
ΔH_f, kcal/mol:	-126.95
Dipole, Da:	4.46
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl (2E)-7-methyl-2-[(2-nitrophenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)NCCCO)/SC1=O

DOS

IR

Vibrations