Geometry & MOs

Info

ID:	43570
PubChem CID:	10321483
Reduced:	S2N3O6C19H19 (1)
Stoich.:	A2B3C6D19E19 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-144.37
Dipole, Da:	7.42
IP(EA), eV:	-9.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxy-N-(3-methylquinoxalin-5-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CO)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NSN=C3

DOS

IR

Vibrations