Geometry & MOs

Info

ID:

418400

PubChem CID:

135104527

Reduced:

NO2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

661.362154

ΔHf, kcal/mol:

-163.45

Dipole, Da:

5.11

IP(EA), eV:

 -9.09(-0.7)

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-(oxane-4-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

CCC[C@@]1(CN(CC[C@@H]1O)C2=NC=C(C=C2)C(=O)C)C(=O)O

DOS

IR

Vibrations