Geometry & MOs

Info

ID:	397012
PubChem CID:	135029597
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	6.1
IP(EA), eV:	-9.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7S)-1,5,7-trimethyl-2-oxo-3-azabicyclo[3.3.1]nonan-7-yl]chromeno[3,2-f][1,3]benzoxazol-10-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)OC

DOS

IR

Vibrations