Geometry & MOs

Info

ID:	155023
PubChem CID:	56314593
Reduced:	S2O3N4C19H28 (1)
Stoich.:	A2B3C4D19E28 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-113.03
Dipole, Da:	5.27
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carbonyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCN1C(=O)C2=CC3=C(S2)N=C(S3)N(C)C

DOS

IR

Vibrations