Geometry & MOs

Info

ID:	46016
PubChem CID:	10520455
Reduced:	O2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	330.051893
ΔH_f, kcal/mol:	-144.69
Dipole, Da:	3.78
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-4-(ethylamino)-7,7-dioxo-6-(tritritiomethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=O)CC1)(C)C)/C=C\C2=C(C=C(C=C2OC)OC)CO

DOS

IR

Vibrations