Geometry & MOs

Info

ID:

335204

PubChem CID:

127254065

Reduced:

SN4O8C33H38 (1)

Stoich.:

AB4C8D33E38 (1)

Weight, g/mol:

344.129156

ΔHf, kcal/mol:

-241.47

Dipole, Da:

9.0

IP(EA), eV:

 -8.48(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,12E)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCS2(=O)=O)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations