Geometry & MOs

Info

ID:	83328
PubChem CID:	49857455
Reduced:	ClNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	6.32
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)-2-nitropropyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=CC2C3=CC=C(C=C3)Cl)C)C(=O)OC

DOS

IR

Vibrations