Geometry & MOs

Info

ID:	357444
PubChem CID:	127294077
Reduced:	SF2N3O3C16H17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-195.29
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)CCC2C(=O)N(C(=O)N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations