Geometry & MOs

Info

ID:	332593
PubChem CID:	127250879
Reduced:	ClSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	418.123025
ΔH_f, kcal/mol:	0.25
Dipole, Da:	2.04
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations