Geometry & MOs

Info

ID:	64420
PubChem CID:	29200287
Reduced:	F2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	438.101621
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	3.34
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-1-(4-ethoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations