Geometry & MOs

Info

ID:	57941
PubChem CID:	24278822
Reduced:	ClNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	0.9
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C3CCCC3=C2Cl

DOS

IR

Vibrations