Geometry & MOs

Info

ID:

444218

PubChem CID:

135261746

Reduced:

BrSN5O7H40C42 (1)

Stoich.:

ABC5D7E40F42 (1)

Weight, g/mol:

481.268905

ΔHf, kcal/mol:

-152.47

Dipole, Da:

5.12

IP(EA), eV:

 -8.6(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCCN3CCN(CC3)CCOC4=CC=C(C=C4)OC5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)Br)C(=O)N1C8CCC(=O)NC8=O

DOS

IR

Vibrations