Geometry & MOs

Info

ID:	128650
PubChem CID:	51053218
Reduced:	ClO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	7.49
IP(EA), eV:	-9.47(-1.02)
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]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC(=O)C2=NC(=NO2)CC3=C(C=CC(=C3)C(=O)OC)Cl

DOS

IR

Vibrations