Geometry & MOs

Info

ID:	398664
PubChem CID:	135034654
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	426.134635
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	8.24
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,4R,7R,7aR)-7-benzamido-6-chloro-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations