Geometry & MOs

Info

ID:	406431
PubChem CID:	135077550
Reduced:	N2O4C15H17 (1)
Stoich.:	A2B4C15D17 (1)
Weight, g/mol:	396.103784
ΔH_f, kcal/mol:	-85.67
Dipole, Da:	6.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838101
Charge, e:	0

Chem-info

IUPAC name:

[2-[bis(phenylsulfanyl)methyl]phenoxy]-trimethylsilane

Drug info:

PubChemData

Smile

CCCCC(=O)/C(=C(/C1=CC=CC=C1C(=O)OC)\O)/[N+]#N

DOS

IR

Vibrations