Geometry & MOs

Info

ID:	149557
PubChem CID:	53789230
Reduced:	SN6O9C39H46 (1)
Stoich.:	AB6C9D39E46 (1)
Weight, g/mol:	196.078268
ΔH_f, kcal/mol:	-264.67
Dipole, Da:	15.41
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(methyliminomethyl)-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)CCN([C@@H](CCCN=C(N)N)C(=O)N(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

DOS

IR

Vibrations