Geometry & MOs

Info

ID:	147115
PubChem CID:	53786768
Reduced:	S2F3N4O4H29C35 (1)
Stoich.:	A2B3C4D4E29F35 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	9.86
IP(EA), eV:	-9.01(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butoxy-1,2,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydrophenoxazin-3-one

Drug info:

PubChemData

Smile

CCCCC1=NNC(=O)N1C(C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC5=CC=CC=C5S4)C6=CC=CC=C6C(F)(F)F

DOS

IR

Vibrations