Geometry & MOs

Info

ID:

47154

PubChem CID:

10530011

Reduced:

SN3O6C27H27 (1)

Stoich.:

AB3C6D27E27 (1)

Weight, g/mol:

521.310101

ΔHf, kcal/mol:

-135.19

Dipole, Da:

11.14

IP(EA), eV:

 -8.55(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[7-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]propyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC3=C(C=C2N=C1CSC4=NC=CN4C)OCCO3)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations