Geometry & MOs

Info

ID:	13934
PubChem CID:	400214
Reduced:	F3N4O5H27C28 (1)
Stoich.:	A3B4C5D27E28 (1)
Weight, g/mol:	556.193354
ΔH_f, kcal/mol:	-302.07
Dipole, Da:	6.03
IP(EA), eV:	-8.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4

DOS

IR

Vibrations