Geometry & MOs

Info

ID:	60460
PubChem CID:	26697035
Reduced:	SN3O5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	407.131506
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753631
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations