Geometry & MOs

Info

ID:	271424
PubChem CID:	103676601
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	-152.44
Dipole, Da:	3.89
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4,4-dimethylpentyl)-5-(methylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC(CC(C)(C)C)O

DOS

IR

Vibrations