Geometry & MOs

Info

ID:	440256
PubChem CID:	135230187
Reduced:	S2N7H11C13 (1)
Stoich.:	A2B7C11D13 (1)
Weight, g/mol:	310.074914
ΔH_f, kcal/mol:	180.87
Dipole, Da:	7.23
IP(EA), eV:	-9.24(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=CS4

DOS

IR

Vibrations