Geometry & MOs

Info

ID:	44757
PubChem CID:	10505757
Reduced:	O5C13H17 (2)
Stoich.:	A5B13C17 (2)
Weight, g/mol:	506.223929
ΔH_f, kcal/mol:	-435.22
Dipole, Da:	2.52
IP(EA), eV:	-10.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(1,3-dioxoisoindol-2-yl)heptanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1C(=O)C(C2(C1(C(C(=O)C2C(=O)OC)C(=O)OC)C3CCCC3)C4CCCC4)C(=O)OC

DOS

IR

Vibrations