Geometry & MOs

Info

ID:	273425
PubChem CID:	103771099
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	2.4
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-N-(2-hydroxy-4-methylpentyl)-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations