Geometry & MOs

Info

ID:	396926
PubChem CID:	135029472
Reduced:	NSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	9.4
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,6'R,13'R)-14'-ethylspiro[1,3-dioxolane-2,11'-3,5-dioxa-14-azapentacyclo[10.3.2.01,6.09,13.09,16]heptadecane]-4',15'-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations