Geometry & MOs

Info

ID:	128679
PubChem CID:	51053874
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	6.4
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=NC(=O)CSC(C2=CN1)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations