Geometry & MOs

Info

ID:

141884

PubChem CID:

52945343

Reduced:

F2N2H6C7 (3)

Stoich.:

A2B2C6D7 (3)

Weight, g/mol:

583.423674

ΔHf, kcal/mol:

-229.76

Dipole, Da:

4.81

IP(EA), eV:

 -8.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-aminopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC2=C1C(=NC(=N2)N)NC3=CC=C(C=C3)C(F)(F)F)C4=C(C=CC=N4)C(F)(F)F

DOS

IR

Vibrations