Geometry & MOs

Info

ID:	35626
PubChem CID:	7980114
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-139.68
Dipole, Da:	4.33
IP(EA), eV:	-8.31(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)N

DOS

IR

Vibrations