Geometry & MOs

Info

ID:	147734
PubChem CID:	53787391
Reduced:	SF2N4O4C33H34 (1)
Stoich.:	AB2C4D4E33F34 (1)
Weight, g/mol:	121.029442
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-1-chlorobutan-2-one

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC(=C(C=C1)CC2=CC=C(C=C2)F)C(=O)NOC(=O)CCCSC)C(CN3C=CN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations