Geometry & MOs

Info

ID:

440976

PubChem CID:

135232542

Reduced:

N11C24H43 (1)

Stoich.:

A11B24C43 (1)

Weight, g/mol:

428.401816

ΔHf, kcal/mol:

76.23

Dipole, Da:

4.31

IP(EA), eV:

 -8.54(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,6-dimethyloctan-2-yl]-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2CCNCC2)NCC3=NN(N=N3)CCCNCCCNC4CCCCC4

DOS

IR

Vibrations