Geometry & MOs

Info

ID:	440447
PubChem CID:	135230424
Reduced:	F2O3N8C30H34 (1)
Stoich.:	A2B3C8D30E34 (1)
Weight, g/mol:	357.056342
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	10.22
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations