Geometry & MOs

Info

ID:	420725
PubChem CID:	135114709
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	353.104542
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	2.8
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1OC)Cl)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations