Geometry & MOs

Info

ID:

436432

PubChem CID:

135202762

Reduced:

ClSF4N4O5H15C17 (1)

Stoich.:

ABC4D4E5F15G17 (1)

Weight, g/mol:

585.312409

ΔHf, kcal/mol:

-367.77

Dipole, Da:

7.26

IP(EA), eV:

 -9.6(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aS,6aR,6aS,14aS,14bR)-8-[(2S)-2-amino-2-carboxyethyl]sulfanyl-14a-ethyl-10,11-dihydroxy-2,4a,6a,6a,9-pentamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)NS(=O)(=O)C3CCNC3)Cl)F)C(F)(F)F

DOS

IR

Vibrations