Geometry & MOs

Info

ID:

418012

PubChem CID:

135103313

Reduced:

FO4N9C36H38 (1)

Stoich.:

AB4C9D36E38 (1)

Weight, g/mol:

615.316917

ΔHf, kcal/mol:

-76.04

Dipole, Da:

8.52

IP(EA), eV:

 -9.3(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)CCC3=NC4=C(N3)C=C(C=C4)F)C(=O)C5=CC=CC=C5)C(=O)C6=NN7C=CC=NC7=C6

DOS

IR

Vibrations