Geometry & MOs

Info

ID:	316022
PubChem CID:	126629680
Reduced:	ClFSN3O3C9H11 (1)
Stoich.:	ABCD3E3F9G11 (1)
Weight, g/mol:	346.096331
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	5.12
IP(EA), eV:	-9.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(2,5-dichloropyrimidin-4-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@@H](C1)OC2=NC(=NC=C2F)Cl

DOS

IR

Vibrations