Geometry & MOs

Info

ID:	60250
PubChem CID:	26675987
Reduced:	FN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	497.136905
ΔH_f, kcal/mol:	-36.59
Dipole, Da:	4.84
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxymethyl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)/C=N\OCC3=NC=C(O3)C4=CC=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations