Geometry & MOs

Info

ID:	331728
PubChem CID:	127249811
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-2.37
Dipole, Da:	3.79
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCOC(C3)C4=NC(=CC=C4)NC5=NN=CS5)C)C

DOS

IR

Vibrations