Geometry & MOs

Info

ID:	133234
PubChem CID:	51496543
Reduced:	FO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	5.68
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NN(C(=O)C(=C2)N)[C@H](C)C(=O)NCCC3=CC=CC=C3F

DOS

IR

Vibrations