Geometry & MOs

Info

ID:	53267
PubChem CID:	14709941
Reduced:	NSi2O4C24H49 (1)
Stoich.:	AB2C4D24E49 (1)
Weight, g/mol:	186.082684
ΔH_f, kcal/mol:	-323.68
Dipole, Da:	1.27
IP(EA), eV:	-8.79(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-cyanoethyl) N,N-diethylcarbamothioate

Drug info:

PubChemData

Smile

C[C@](CC=C)(C(=O)N1[C@H](CC[C@@H]1CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations