Geometry & MOs

Info

ID:	11051
PubChem CID:	110249
Reduced:	SN3O6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	431.115107
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	16.71
IP(EA), eV:	-8.62(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O.N

DOS

IR

Vibrations