Geometry & MOs

Info

ID:

443230

PubChem CID:

135258207

Reduced:

ClSF3O3N5H15C19 (1)

Stoich.:

ABC3D3E5F15G19 (1)

Weight, g/mol:

564.331171

ΔHf, kcal/mol:

-180.22

Dipole, Da:

5.67

IP(EA), eV:

 -9.14(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S,9S,10R,11S,13S,14S,16R,17S)-10,13,16-trimethyl-3-oxo-17-propanoyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

C1C(C(CN1C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=NC=NS4)F)O

DOS

IR

Vibrations