Geometry & MOs

Info

ID:

423053

PubChem CID:

135118844

Reduced:

SN2O3C18H28 (1)

Stoich.:

AB2C3D18E28 (1)

Weight, g/mol:

654.331188

ΔHf, kcal/mol:

-132.66

Dipole, Da:

5.08

IP(EA), eV:

 -8.74(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-11,25,25-trimethyl-17-(2-methylsulfanylethyl)-10-(pyridine-3-carbonyl)-1,10,13,16,19,22,23-heptazatricyclo[19.2.1.14,7]pentacosa-4,21(24),22-triene-12,15,18-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations