Geometry & MOs

Info

ID:	35625
PubChem CID:	7980113
Reduced:	NO2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.049576
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)[NH2+]CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations