Geometry & MOs

Info

ID:	214854
PubChem CID:	85083746
Reduced:	BrSiO3C35H47 (1)
Stoich.:	ABC3D35E47 (1)
Weight, g/mol:	623.318163
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	5.59
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-(benzylamino)-1-oxobutan-2-yl]amino]-3-tritylsulfanylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC(C)C(C=C(C=CC(=CCO)C)Br)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C=C(C)C(=O)C

DOS

IR

Vibrations