Geometry & MOs

Info

ID:	28840
PubChem CID:	829989
Reduced:	FOS2N3H10C15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	22.62
Dipole, Da:	8.61
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine

Drug info:

PubChemData

Smile

C1=CSC(=C1)[C@H]2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N

DOS

IR

Vibrations