Geometry & MOs

Info

ID:	83797
PubChem CID:	49861451
Reduced:	ClNO2C20H40 (1)
Stoich.:	ABC2D20E40 (1)
Weight, g/mol:	342.074171
ΔH_f, kcal/mol:	-184.2
Dipole, Da:	1.39
IP(EA), eV:	-9.35(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-methylpropylamino)-7,7-dioxo-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide

Drug info:

PubChemData

Smile

CC(CC1CC(C(CC1OC)CCCC2CCCCC2)OC)N.Cl

DOS

IR

Vibrations