Geometry & MOs

Info

ID:	20091
PubChem CID:	579089
Reduced:	SN5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	271.089167
ΔH_f, kcal/mol:	77.03
Dipole, Da:	2.8
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations