Geometry & MOs

Info

ID:	272651
PubChem CID:	103750736
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	307.054212
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	4.71
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC(CCO)C(C)C

DOS

IR

Vibrations