Geometry & MOs

Info

ID:

440295

PubChem CID:

135230242

Reduced:

ClS3N21H38C50 (1)

Stoich.:

AB3C21D38E50 (1)

Weight, g/mol:

365.105879

ΔHf, kcal/mol:

524.69

Dipole, Da:

7.61

IP(EA), eV:

 -9.0(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CSC2=NC3=C(N2C4=NN=NN4C)C=C(C=C3)C5=CC=CC6=C5C=CN=C6CSC7=NC8=C(N7C9=NN=NN9C)C=CC(=C8)C1=CN=C(C=C1)CSC1=NC2=C(N1C1=NN=NN1C)C=CC(=C2)Cl

DOS

IR

Vibrations