Geometry & MOs

Info

ID:

314892

PubChem CID:

126623915

Reduced:

FSN6O6H27C31 (1)

Stoich.:

ABC6D6E27F31 (1)

Weight, g/mol:

526.213758

ΔHf, kcal/mol:

-163.59

Dipole, Da:

7.88

IP(EA), eV:

 -9.04(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[1,4-dioxaspiro[4.5]decan-8-yl(ethyl)amino]-4-methyl-2-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CC6=C(C=C5)C(=CC=C6)S(=O)(=O)O)F

DOS

IR

Vibrations