Geometry & MOs

Info

ID:	162434
PubChem CID:	57394649
Reduced:	SN2O5C23H34 (1)
Stoich.:	AB2C5D23E34 (1)
Weight, g/mol:	448.177837
ΔH_f, kcal/mol:	-180.99
Dipole, Da:	7.39
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[7-chloro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-4-(dimethylamino)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO

DOS

IR

Vibrations