Geometry & MOs

Info

ID:	259137
PubChem CID:	103158339
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	3.68
IP(EA), eV:	-8.38(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-difluorophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CS(=O)CCCNCC(CC1CCCC1)O

DOS

IR

Vibrations