Geometry & MOs

Info

ID:	62689
PubChem CID:	26736209
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	407.111735
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	7.1
IP(EA), eV:	-8.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) (2R)-4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OC4=CC=CC=C4C#N

DOS

IR

Vibrations