Geometry & MOs

Info

ID:	36456
PubChem CID:	8007054
Reduced:	O2F3N5C17H24 (1)
Stoich.:	A2B3C5D17E24 (1)
Weight, g/mol:	403.049047
ΔH_f, kcal/mol:	-236.1
Dipole, Da:	4.87
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dichloroanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC(=O)CN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations