Geometry & MOs

Info

ID:	351161
PubChem CID:	127279719
Reduced:	NOSH8C9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	2.79
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-3-methyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)butanamide

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(S4)CCOC5

DOS

IR

Vibrations