Geometry & MOs

Info

ID:	443117
PubChem CID:	135257759
Reduced:	SO2F5N6H29C30 (1)
Stoich.:	AB2C5D6E29F30 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(1-methoxyethyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C(=N)N=NN)C(=O)[C@H]4CCN4S(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations