Geometry & MOs

Info

ID:	395511
PubChem CID:	135025681
Reduced:	NC23H35 (1)
Stoich.:	AB23C35 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	26.28
Dipole, Da:	1.55
IP(EA), eV:	-8.58(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4-diethoxy-2-[hydroxy-methyl-(4-methylphenyl)-lambda4-sulfanyl]but-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC=CCN(CC(C)C)C(C#CC1=CC=CC=C1)C(C)C

DOS

IR

Vibrations