Geometry & MOs

Info

ID:	166223
PubChem CID:	74651942
Reduced:	ClOSN3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	339.170868
ΔH_f, kcal/mol:	13.14
Dipole, Da:	1.58
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)NC(=O)C=CC1=C(N=C2N1C=CS2)Cl

DOS

IR

Vibrations