Geometry & MOs

Info

ID:	22175
PubChem CID:	596155
Reduced:	SN4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	292.078268
ΔH_f, kcal/mol:	109.78
Dipole, Da:	2.74
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylmethylsulfanyl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations