Geometry & MOs

Info

ID:	326844
PubChem CID:	126688395
Reduced:	SF2O3N4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	373.02733
ΔH_f, kcal/mol:	-154.51
Dipole, Da:	3.55
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-4-(3-hydroxypropylamino)-5-nitrophenyl]morpholin-3-one

Drug info:

PubChemData

Smile

C1CSCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C(F)F)CCCO

DOS

IR

Vibrations