Geometry & MOs

Info

ID:	396433
PubChem CID:	135028412
Reduced:	S2O3C21H27 (2)
Stoich.:	A2B3C21D27 (2)
Weight, g/mol:	424.254605
ΔH_f, kcal/mol:	-222.12
Dipole, Da:	2.11
IP(EA), eV:	-7.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3-[methyl(triethylsilyloxy)amino]-5-phenylpentanenitrile

Drug info:

PubChemData

Smile

CCCCOC1=C2C3=C4C5=C6C7=C3C(=C(C(=C7SSC6=C(C(=C5SC4=C1OCCCC)OCCCC)OCCCC)OCCCC)OCCCC)S2

DOS

IR

Vibrations