Geometry & MOs

Info

ID:	203328
PubChem CID:	79814145
Reduced:	FN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-172.54
Dipole, Da:	6.04
IP(EA), eV:	-10.46(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-ethyl-1-(3-methylthiomorpholin-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F

DOS

IR

Vibrations