Geometry & MOs

Info

ID:

417044

PubChem CID:

135091215

Reduced:

O2N5C18H19 (1)

Stoich.:

A2B5C18D19 (1)

Weight, g/mol:

637.347549

ΔHf, kcal/mol:

33.7

Dipole, Da:

3.48

IP(EA), eV:

 -9.27(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-(2-methoxyacetyl)-7-[(4-methoxyphenyl)methyl]-10-methyl-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC2=NN=C(O2)C3=CC=CC=C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations