Geometry & MOs

Info

ID:

41173

PubChem CID:

8145399

Reduced:

ClFSN5C20H21 (1)

Stoich.:

ABCD5E20F21 (1)

Weight, g/mol:

419.330048

ΔHf, kcal/mol:

45.7

Dipole, Da:

2.33

IP(EA), eV:

 -8.55(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-[(Z)-[(5S,8S,9R,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydrazinylidene]methyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations