Geometry & MOs

Info

ID:

148830

PubChem CID:

53788499

Reduced:

ClSF2O5N6C26H33 (1)

Stoich.:

ABC2D5E6F26G33 (1)

Weight, g/mol:

418.271924

ΔHf, kcal/mol:

-284.95

Dipole, Da:

5.91

IP(EA), eV:

 -8.9(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7aS)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydroinden-1-ylidene]propyl 2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN2CC(CCC2C1)CNC(=O)NC3=C(C(=NS3)OCC4=C(C=C(C=C4F)Cl)F)C(=O)N

DOS

IR

Vibrations