Geometry & MOs

Info

ID:	332567
PubChem CID:	127250853
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	0.29
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1,3-thiazol-4-yl)-1-[2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations