Geometry & MOs

Info

ID:	395512
PubChem CID:	135025682
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	405.160994
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	4.99
IP(EA), eV:	-8.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(/C=C(\C#N)/S(C)(C1=CC=C(C=C1)C)O)OCC

DOS

IR

Vibrations