Geometry & MOs

Info

ID:	80523
PubChem CID:	49834921
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	351.138992
ΔH_f, kcal/mol:	28.62
Dipole, Da:	8.51
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-(4-chlorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C=N1)C2=NC(=NO2)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=NC=C4

DOS

IR

Vibrations