Geometry & MOs

Info

ID:

414933

PubChem CID:

135087913

Reduced:

SN2O5C18H24 (1)

Stoich.:

AB2C5D18E24 (1)

Weight, g/mol:

705.373764

ΔHf, kcal/mol:

-184.11

Dipole, Da:

2.16

IP(EA), eV:

 -9.48(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC)OC1=O

DOS

IR

Vibrations