Geometry & MOs

Info

ID:	64047
PubChem CID:	26759762
Reduced:	S2N3O5C22H27 (1)
Stoich.:	A2B3C5D22E27 (1)
Weight, g/mol:	436.088221
ΔH_f, kcal/mol:	-172.78
Dipole, Da:	6.03
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations