Geometry & MOs

Info

ID:	305396
PubChem CID:	124807106
Reduced:	OF3N5C28H34 (1)
Stoich.:	AB3C5D28E34 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	4.18
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-4-cyclopropylsulfonyl-6-[(2-methylpyrazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CN3CCC[C@@H](C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations