Geometry & MOs

Info

ID:	304394
PubChem CID:	124577231
Reduced:	O2S2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	487.070176
ΔH_f, kcal/mol:	22.43
Dipole, Da:	6.73
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,4R,7aS)-4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)[C@H]2C(=O)/C(=C/C3=CC(=CC=C3)OCC)/SC2=N

DOS

IR

Vibrations