Geometry & MOs

Info

ID:	412386
PubChem CID:	135085277
Reduced:	OSiN3C29H34 (1)
Stoich.:	ABC3D29E34 (1)
Weight, g/mol:	248.173607
ΔH_f, kcal/mol:	27.28
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776353
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]carbamate;molecular hydrogen

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3CCC4=NN(C=[N+]34)CC5=CC=CC=C5

DOS

IR

Vibrations