Geometry & MOs

Info

ID:	328326
PubChem CID:	126700722
Reduced:	BrFON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	460.197137
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	5.13
IP(EA), eV:	-8.49(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(Z)-3-amino-2-[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]prop-2-enylidene]amino]butanamide

Drug info:

PubChemData

Smile

CNC1=C2C(=CC(=C1F)Br)OCCCN2

DOS

IR

Vibrations