Geometry & MOs

Info

ID:	428641
PubChem CID:	135167830
Reduced:	NO2C20H39 (1)
Stoich.:	AB2C20D39 (1)
Weight, g/mol:	387.208814
ΔH_f, kcal/mol:	-141.56
Dipole, Da:	3.34
IP(EA), eV:	-8.52(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecylsulfanylcarbothioylsulfanyl-2-methylhexanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)CCCOC2CC(C2)OC(C)(C)C

DOS

IR

Vibrations