Geometry & MOs

Info

ID:	332514
PubChem CID:	127250800
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	442.152016
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	4.05
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations