Geometry & MOs

Info

ID:	180201
PubChem CID:	76595873
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	3.06
IP(EA), eV:	-10.07(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxyhexylsulfanyl)-1-(2-methylidene-3,5-dihydrobenzimidazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC#C)C1=NC2=C(C=CC(=C2)Cl)C(=O)O1

DOS

IR

Vibrations