Geometry & MOs

Info

ID:	321481
PubChem CID:	126666123
Reduced:	F3O3N4H21C24 (1)
Stoich.:	A3B3C4D21E24 (1)
Weight, g/mol:	478.140783
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	5.34
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[(1S)-1-(4-chlorophenyl)ethyl]-3-cyclopropyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)C2=NN(C(=O)C3=C2ON=C3C)[C@H](C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations