Geometry & MOs

Info

ID:	196004
PubChem CID:	78764657
Reduced:	SO3N6H16C17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	56.57
Dipole, Da:	7.99
IP(EA), eV:	-9.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-naphthalen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3

DOS

IR

Vibrations