Geometry & MOs

Info

ID:	319965
PubChem CID:	126657702
Reduced:	SN2O2C10H22 (1)
Stoich.:	AB2C2D10E22 (1)
Weight, g/mol:	478.183875
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	3.35
IP(EA), eV:	-9.57(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[2-[1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]benzimidazol-2-yl]-1,3-benzoxazol-6-yl]aniline

Drug info:

PubChemData

Smile

CCC(C)(C)NS(=O)(=O)N1CCCCC1

DOS

IR

Vibrations