Geometry & MOs

Info

ID:	440334
PubChem CID:	135230281
Reduced:	F2O5N8C29H30 (1)
Stoich.:	A2B5C8D29E30 (1)
Weight, g/mol:	391.082699
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	7.92
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyltetrazol-5-yl)-2-[[4-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]benzimidazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations