Geometry & MOs

Info

ID:	35589
PubChem CID:	7980071
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-96.04
Dipole, Da:	2.88
IP(EA), eV:	-9.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-amino-N-[(3S)-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=C(C=C2)Cl

DOS

IR

Vibrations