Geometry & MOs

Info

ID:	80728
PubChem CID:	49836426
Reduced:	FON4H15C17 (2)
Stoich.:	ABC4D15E17 (2)
Weight, g/mol:	445.171165
ΔH_f, kcal/mol:	6.43
Dipole, Da:	7.76
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C3=CC(=C(C(=C3)F)C4=CC=NC5=C(C(=NN45)C6=CC=NC=C6)C7=C8C=NNC8=CC=C7)F

DOS

IR

Vibrations