Geometry & MOs

Info

ID:	50022
PubChem CID:	11538794
Reduced:	N2O3H22C26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	-23.85
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]butylamino]-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=NC6=CC=CC=C6O5

DOS

IR

Vibrations