Geometry & MOs

Info

ID:	63867
PubChem CID:	26759355
Reduced:	SN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	370.071131
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	9.12
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

DOS

IR

Vibrations