Geometry & MOs

Info

ID:	391234
PubChem CID:	135003703
Reduced:	NSO2C15H29 (1)
Stoich.:	ABC2D15E29 (1)
Weight, g/mol:	431.89479
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	7.38
IP(EA), eV:	-7.87(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-iodo-2-methylsulfanyl-1-phenylethenyl]selanylbenzene

Drug info:

PubChemData

Smile

CCCC[C@H](C#COC(C)(C)C)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations