Geometry & MOs

Info

ID:	138988
PubChem CID:	52455342
Reduced:	SO3N4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	463.214092
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969540
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dipropoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations