Geometry & MOs

Info

ID:	415048
PubChem CID:	135088034
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-63.26
Dipole, Da:	1.79
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations