Geometry & MOs

Info

ID:	417840
PubChem CID:	135102898
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	25.13
Dipole, Da:	3.06
IP(EA), eV:	-8.59(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CO1)CN2CCC(CC2)C3=NNC(=C3)CC4=CC=CC=C4

DOS

IR

Vibrations