Geometry & MOs

Info

ID:	137616
PubChem CID:	52235333
Reduced:	Cl2O2N3C18H26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	289.078407
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105913
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations