Geometry & MOs

Info

ID:	175433
PubChem CID:	75905201
Reduced:	FOSN7C21H24 (1)
Stoich.:	ABCD7E21F24 (1)
Weight, g/mol:	470.107849
ΔH_f, kcal/mol:	69.43
Dipole, Da:	4.54
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-ethoxy-3-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)F

DOS

IR

Vibrations