Geometry & MOs

Info

ID:	440307
PubChem CID:	135230254
Reduced:	OS2N8C15H16 (1)
Stoich.:	AB2C8D15E16 (1)
Weight, g/mol:	329.051736
ΔH_f, kcal/mol:	128.31
Dipole, Da:	4.61
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CSC2=NC3=CC=CC=C3N2C(=N)N(C)N=N

DOS

IR

Vibrations