Geometry & MOs

Info

ID:	293937
PubChem CID:	117418010
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	265.031727
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	6.34
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=CC=C2C3CCNCC3

DOS

IR

Vibrations