Geometry & MOs

Info

ID:	340235
PubChem CID:	127262244
Reduced:	PSN2O3C15H25 (1)
Stoich.:	ABC2D3E15F25 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	5.09
IP(EA), eV:	-9.08(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-benzyl-N-cyanocarbamimidothioate

Drug info:

PubChemData

Smile

CCCCSC(=N)N(C1=CC=CC=C1)P(=O)(OCC)OCC

DOS

IR

Vibrations