Geometry & MOs

Info

ID:	332577
PubChem CID:	127250863
Reduced:	ClSO3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	427.141117
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	4.01
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations