Geometry & MOs

Info

ID:	41809
PubChem CID:	8147138
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	410.111401
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	8.02
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)S(=O)(=O)N

DOS

IR

Vibrations