Geometry & MOs

Info

ID:	440292
PubChem CID:	135230239
Reduced:	ISN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	317.105879
ΔH_f, kcal/mol:	193.88
Dipole, Da:	7.2
IP(EA), eV:	-9.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC(=C3)I)N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations