Geometry & MOs

Info

ID:

26236

PubChem CID:

641586

Reduced:

OC20H28 (2)

Stoich.:

AB20C28 (2)

Weight, g/mol:

742.083039

ΔHf, kcal/mol:

-51.14

Dipole, Da:

2.76

IP(EA), eV:

 -8.51(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione

Drug info:

PubChemData

Smile

CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(CCCC2(C)C)C)/C)/C

DOS

IR

Vibrations