Geometry & MOs

Info

ID:	311965
PubChem CID:	126599864
Reduced:	BrO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	425.166331
ΔH_f, kcal/mol:	18.13
Dipole, Da:	2.08
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-6-cyclopropyl-5-(3,5-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-5,6-dihydro-2H-1,2,4-oxadiazine

Drug info:

PubChemData

Smile

CC1(C(N=C(NO1)C2=NC(=C(C=C2)Br)OC)C3=CC=CC=C3)C

DOS

IR

Vibrations