Geometry & MOs

Info

ID:

188902

PubChem CID:

77781430

Reduced:

ClSiN2O6C25H25 (1)

Stoich.:

ABC2D6E25F25 (1)

Weight, g/mol:

719.508466

ΔHf, kcal/mol:

-225.09

Dipole, Da:

8.56

IP(EA), eV:

 -9.16(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(3-aminopropyl)butane-1,4-diamine;2-(3,16-diacetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,4,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)OC(=O)C)N=C4C3=C2)[Si](C)(C)CCl)O

DOS

IR

Vibrations