Geometry & MOs

Info

ID:	37847
PubChem CID:	8025090
Reduced:	N2S2O4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-102.48
Dipole, Da:	4.56
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(diethylazaniumyl)ethyl]indolo[2,3-b]quinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

DOS

IR

Vibrations