Geometry & MOs

Info

ID:

420599

PubChem CID:

135114248

Reduced:

N2O2C11H14 (4)

Stoich.:

A2B2C11D14 (4)

Weight, g/mol:

380.194737

ΔHf, kcal/mol:

-266.59

Dipole, Da:

1.64

IP(EA), eV:

 -8.67(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxy-N-[(4R,5S)-9-(furan-2-carbonyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

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)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=C(N=CC=C5)OC)C(C)C

DOS

IR

Vibrations