Geometry & MOs

Info

ID:	128680
PubChem CID:	51053896
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	7.77
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CS2

DOS

IR

Vibrations