Geometry & MOs

Info

ID:	171755
PubChem CID:	75423297
Reduced:	NOSC9H14 (2)
Stoich.:	ABCD9E14 (2)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	5.7
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CSC(=N4)CS(=O)(=O)C

DOS

IR

Vibrations