Geometry & MOs

Info

ID:	440450
PubChem CID:	135230427
Reduced:	ClSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	440.093456
ΔH_f, kcal/mol:	169.91
Dipole, Da:	6.3
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[7-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=C(C=CC=N4)Cl

DOS

IR

Vibrations