Geometry & MOs

Info

ID:	190317
PubChem CID:	77984476
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	386.162391
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	4.69
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methylsulfonyloxy-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CN(CCC1CNC2=NC=CC=N2)C(=O)C3CC3C4=CC=CC=C4

DOS

IR

Vibrations