Geometry & MOs

Info

ID:	166646
PubChem CID:	74721283
Reduced:	FN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	466.164796
ΔH_f, kcal/mol:	-217.0
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758782
Charge, e:	1

Chem-info

IUPAC name:

N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=CC=C3F

DOS

IR

Vibrations