Geometry & MOs

Info

ID:	82516
PubChem CID:	49856125
Reduced:	OSi2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	589.272276
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	1.8
IP(EA), eV:	-9.07(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-[(1S,3S,4R)-3-[[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-4-methylcyclohexyl]propoxy]-N-benzylacetamide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC/C=C/[Si](C)(C)CC=C

DOS

IR

Vibrations