Geometry & MOs

Info

ID:	138375
PubChem CID:	52357223
Reduced:	ClOSN5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	120.102454
ΔH_f, kcal/mol:	101.67
Dipole, Da:	6.05
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2CC2)SC3=NN=C(N3C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations