Geometry & MOs

Info

ID:	373537
PubChem CID:	131316609
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	247.053069
ΔH_f, kcal/mol:	4.86
Dipole, Da:	4.37
IP(EA), eV:	-9.2(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-amino-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)CC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations