Geometry & MOs

Info

ID:	59999
PubChem CID:	26663012
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	7.51
IP(EA), eV:	-9.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-N-[(2R)-2-phenylbutyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations