Geometry & MOs

Info

ID:	133233
PubChem CID:	51496016
Reduced:	FO2N5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	398.175419
ΔH_f, kcal/mol:	10.75
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CN=CC=C2)NC(=O)CN3C=CC4=C3C=C(C=C4)F

DOS

IR

Vibrations