Geometry & MOs

Info

ID:

41170

PubChem CID:

8145393

Reduced:

FSN5C21H24 (1)

Stoich.:

ABC5D21E24 (1)

Weight, g/mol:

419.330048

ΔHf, kcal/mol:

51.21

Dipole, Da:

4.4

IP(EA), eV:

 -8.53(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-[(Z)-[(5R,8R,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=CC(=C(C=C1)C)N2C=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations