Geometry & MOs

Info

ID:	392199
PubChem CID:	135013654
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	449.123169
ΔH_f, kcal/mol:	74.63
Dipole, Da:	4.03
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azidomethyl)phenyl]-2-hydroxy-1,5-bis(phenylsulfanyl)pentan-3-one

Drug info:

PubChemData

Smile

C1C(O1)(C2=CC=C(C=C2)CN=[N+]=[N-])C(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations