Geometry & MOs

Info

ID:	210521
PubChem CID:	80818826
Reduced:	SN7C13H21 (1)
Stoich.:	AB7C13D21 (1)
Weight, g/mol:	323.123838
ΔH_f, kcal/mol:	68.15
Dipole, Da:	2.69
IP(EA), eV:	-8.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N(C)CC2=C(N=CS2)C)N(C)C

DOS

IR

Vibrations