Geometry & MOs

Info

ID:

189035

PubChem CID:

77806954

Reduced:

SN2O6C30H36 (1)

Stoich.:

AB2C6D30E36 (1)

Weight, g/mol:

745.692125

ΔHf, kcal/mol:

-166.83

Dipole, Da:

6.54

IP(EA), eV:

 -8.93(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-(4-aminobutyl)-3-N,3-N-bis(3-aminopropyl)hexane-1,3,6-triamine;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamate

Drug info:

PubChemData

Smile

CN(C1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)COC)CCN3CC=C)S(=O)(=O)CC6=CC=CC=C6

DOS

IR

Vibrations