Geometry & MOs

Info

ID:	46968
PubChem CID:	10528696
Reduced:	NSO6C25H37 (1)
Stoich.:	ABC6D25E37 (1)
Weight, g/mol:	479.068357
ΔH_f, kcal/mol:	-240.17
Dipole, Da:	3.16
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-(2-phenylsulfanylphenyl)sulfinylphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CCCC[C@@H]2[C@H](O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)O

DOS

IR

Vibrations