Geometry & MOs

Info

ID:	168635
PubChem CID:	74997707
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-255.42
Dipole, Da:	4.49
IP(EA), eV:	-9.01(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-ethyl-7-fluoro-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CC2CCCCC2)OCC(CC(CC(=O)O)O)O)C

DOS

IR

Vibrations