Geometry & MOs

Info

ID:	374015
PubChem CID:	131322355
Reduced:	NOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	378.243836
ΔH_f, kcal/mol:	2.42
Dipole, Da:	4.2
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

C1CSCC1(C2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations