Geometry & MOs

Info

ID:	146129
PubChem CID:	53640829
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-166.18
Dipole, Da:	3.24
IP(EA), eV:	-8.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[1-[acetyl(hydroxy)amino]ethyl]-2,6-dimethylanilino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)OC(C)OC1=C(N(SC2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations