Geometry & MOs

Info

ID:	439113
PubChem CID:	135228877
Reduced:	N3O4C29H33 (1)
Stoich.:	A3B4C29D33 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	6.37
IP(EA), eV:	-8.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(5,9b-dihydro-1H-imidazo[1,5-b]isoindol-5-yl)-1-nitrosoethyl]cyclohexyl]oxymethyl]benzenesulfinamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)N5CCOCC5)C(C)(C)C

DOS

IR

Vibrations