Geometry & MOs

Info

ID:	35587
PubChem CID:	7980069
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	1.36
IP(EA), eV:	-9.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations