Geometry & MOs

Info

ID:	440339
PubChem CID:	135230287
Reduced:	ClSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	373.110965
ΔH_f, kcal/mol:	168.83
Dipole, Da:	4.05
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]isoquinoline

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=C(C=C4)Cl

DOS

IR

Vibrations