Geometry & MOs

Info

ID:	298277
PubChem CID:	117648211
Reduced:	O3N9C32H37 (1)
Stoich.:	A3B9C32D37 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	16.38
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-1-[[(R)-tert-butylsulfinyl]amino]-1-pyridin-2-ylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=C(C=CC(=N2)N[C@H]3[C@H](CCC[C@@H]3OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C#N)N5N=CC=N5

DOS

IR

Vibrations