Geometry & MOs

Info

ID:	34381
PubChem CID:	7891022
Reduced:	NS2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	8.07
IP(EA), eV:	-8.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CS3

DOS

IR

Vibrations