Geometry & MOs

Info

ID:	160526
PubChem CID:	57309874
Reduced:	O3S3F5N7C13H20 (1)
Stoich.:	A3B3C5D7E13F20 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-280.69
Dipole, Da:	10.02
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)-thiomorpholin-4-ylmethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)CN=C(N)NCCSCC1=CSC(=N1)N(C(=NCC(C(F)(F)F)(F)F)N)O

DOS

IR

Vibrations