Geometry & MOs

Info

ID:

421335

PubChem CID:

135115796

Reduced:

SN7O7C38H51 (1)

Stoich.:

AB7C7D38E51 (1)

Weight, g/mol:

323.17644

ΔHf, kcal/mol:

-301.34

Dipole, Da:

6.15

IP(EA), eV:

 -8.85(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CC3=C(C=C2)N(C(=O)N3)C4CCC(CC4)O)CC5=CC=CC=C5

DOS

IR

Vibrations