Geometry & MOs

Info

ID:	310029
PubChem CID:	126572957
Reduced:	NO3S3C22H39 (1)
Stoich.:	AB3C3D22E39 (1)
Weight, g/mol:	265.07074
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	3.01
IP(EA), eV:	-9.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanobutan-2-yl N-methyl-N-pyridin-4-ylcarbamodithioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)OCCOC)C#N

DOS

IR

Vibrations