Geometry & MOs

Info

ID:

44182

PubChem CID:

10501500

Reduced:

O2N4H18C25 (1)

Stoich.:

A2B4C18D25 (1)

Weight, g/mol:

408.204907

ΔHf, kcal/mol:

92.43

Dipole, Da:

3.86

IP(EA), eV:

 -9.06(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,15S,16S,20S)-10-ethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,18-hexaen-19-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=C3C=NN(C3=NC(=N2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations