Geometry & MOs

Info

ID:	415158
PubChem CID:	135088149
Reduced:	ClN3O3C14H22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	374.070321
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	5.9
IP(EA), eV:	-9.26(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(4-chloro-3-ethoxyphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCCN2C=C(C=N2)Cl

DOS

IR

Vibrations