Geometry & MOs

Info

ID:	440413
PubChem CID:	135230390
Reduced:	F2O4N7C29H31 (1)
Stoich.:	A2B4C7D29E31 (1)
Weight, g/mol:	309.079665
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	10.6
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)COC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations