Geometry & MOs

Info

ID:	328392
PubChem CID:	126705750
Reduced:	N2S3O9C20H30 (1)
Stoich.:	A2B3C9D20E30 (1)
Weight, g/mol:	388.058521
ΔH_f, kcal/mol:	-339.59
Dipole, Da:	5.92
IP(EA), eV:	-9.41(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-N-pent-3-yn-2-ylidene-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

Drug info:

PubChemData

Smile

CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)/N=C/C(C)OC(=O)C(C)OC(=O)C(C)OC)C

DOS

IR

Vibrations