Geometry & MOs

Info

ID:	46416
PubChem CID:	10524320
Reduced:	N4O5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-192.59
Dipole, Da:	3.97
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-aminoethyl)-7-ethoxy-9,10,10-trioxothioxanthene-3-carboximidate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)O

DOS

IR

Vibrations