Geometry & MOs

Info

ID:	328324
PubChem CID:	126700708
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	458.181487
ΔH_f, kcal/mol:	-154.55
Dipole, Da:	2.43
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[2-(2-amino-[1,3]oxazolo[4,5-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(O2)N)C(F)(F)F

DOS

IR

Vibrations