Geometry & MOs

Info

ID:	241099
PubChem CID:	93621870
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	329.109707
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	4.82
IP(EA), eV:	-8.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-4-(3-fluoro-4-methoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(C)[C@@H](C)CC#N)C

DOS

IR

Vibrations