Geometry & MOs

Info

ID:	50335
PubChem CID:	12012856
Reduced:	NSiS2O3C34H63 (1)
Stoich.:	ABC2D3E34F63 (1)
Weight, g/mol:	188.112093
ΔH_f, kcal/mol:	-251.15
Dipole, Da:	2.91
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-hydroxy-7-methyl-4H-2,4,1-benzodiazaborinine

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(=C)S[C@@H]1C[C@]2(CC[C@@]1(C2(C)C)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C

DOS

IR

Vibrations