Geometry & MOs

Info

ID:

228740

PubChem CID:

87565652

Reduced:

SN4O4C40H40 (1)

Stoich.:

AB4C4D40E40 (1)

Weight, g/mol:

501.305015

ΔHf, kcal/mol:

5.23

Dipole, Da:

8.54

IP(EA), eV:

 -8.84(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)/C=C/3\CN(CCC3SC(=O)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations