Geometry & MOs

Info

ID:	206942
PubChem CID:	80322268
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	1.4
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]methyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CN(CCOCC1CC1)CC2=CC(=CS2)C#CCCO

DOS

IR

Vibrations