Geometry & MOs

Info

ID:	140091
PubChem CID:	52645391
Reduced:	F2O2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	438.108328
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	1.92
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-benzylsulfanyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)C2=NN(C3=C2CCC3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations