Geometry & MOs

Info

ID:	419368
PubChem CID:	135108050
Reduced:	ClN4O6C26H33 (1)
Stoich.:	AB4C6D26E33 (1)
Weight, g/mol:	340.147016
ΔH_f, kcal/mol:	-220.96
Dipole, Da:	7.19
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations