Geometry & MOs

Info

ID:

189268

PubChem CID:

77836110

Reduced:

SN2O10C29H34 (1)

Stoich.:

AB2C10D29E34 (1)

Weight, g/mol:

399.20591

ΔHf, kcal/mol:

-336.05

Dipole, Da:

4.04

IP(EA), eV:

 -8.84(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylpyrimidin-4-yl)-6-methyl-6,18-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,11(16),12,14-pentaene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CN2CCOCC2)C=CC(=O)N3CCSC3COC4=CC=CC=C4O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations