Geometry & MOs

Info

ID:	420867
PubChem CID:	135114944
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	5.45
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]sulfonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations