Geometry & MOs

Info

ID:	406797
PubChem CID:	135078665
Reduced:	OSiC13H26 (2)
Stoich.:	ABC13D26 (2)
Weight, g/mol:	317.044582
ΔH_f, kcal/mol:	-236.54
Dipole, Da:	0.89
IP(EA), eV:	-9.07(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[3-methoxy-5-(trifluoromethyl)anilino]-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations