Geometry & MOs

Info

ID:	240777
PubChem CID:	93617466
Reduced:	FSN2O4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	202.095357
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	4.08
IP(EA), eV:	-9.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(cyclopropylcarbamoylamino)-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)CC(=O)N[C@@H](C)C2=CC=C(C=C2)F

DOS

IR

Vibrations