Geometry & MOs

Info

ID:	440318
PubChem CID:	135230265
Reduced:	SN3O3H15C21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	347.042314
ΔH_f, kcal/mol:	65.68
Dipole, Da:	7.77
IP(EA), eV:	-9.65(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(S3)/C=C(\C#N)/C(=O)O)/C=C\C=C

DOS

IR

Vibrations