Geometry & MOs

Info

ID:

323217

PubChem CID:

126673706

Reduced:

O2N6C25H28 (1)

Stoich.:

A2B6C25D28 (1)

Weight, g/mol:

828.459468

ΔHf, kcal/mol:

-11.62

Dipole, Da:

1.09

IP(EA), eV:

 -8.75(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,8R,10S,12S,13R,17R,18S,22S)-18-[(2R,5S)-5-[cyclopropyl(methyl)amino]-6-methyloxan-2-yl]oxy-22-ethyl-5,17-dimethyl-10-[(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-23-oxa-6-thia-4-azapentacyclo[13.10.0.02,13.03,7.08,12]pentacosa-3(7),4,14-triene-16,24-dione

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1C)N2CCN(CC2)CC3=CC4=C(C5=CC=CN5C(=O)N4)N=C3)C(=O)N

DOS

IR

Vibrations