Geometry & MOs

Info

ID:	188216
PubChem CID:	77682182
Reduced:	SO4N8C23H30 (1)
Stoich.:	AB4C8D23E30 (1)
Weight, g/mol:	542.16085
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	5.43
IP(EA), eV:	-9.14(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[3-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]amino]-2-oxopropyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)NC2=NC=CC(=C2)C3(N=CN=N3)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations