Geometry & MOs

Info

ID:	440456
PubChem CID:	135230433
Reduced:	OS2N15H25C30 (1)
Stoich.:	AB2C15D25E30 (1)
Weight, g/mol:	435.108914
ΔH_f, kcal/mol:	322.09
Dipole, Da:	4.45
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]benzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=C(C=C3)C4=C(C=C(N=C4)CSC5=NC6=CC=CC=C6N5C7=NN=NN7C)OC)N=C2SCC8=NC=NC=C8

DOS

IR

Vibrations