Geometry & MOs

Info

ID:

13636

PubChem CID:

396362

Reduced:

NPCl2O6C23H32 (1)

Stoich.:

ABC2D6E23F32 (1)

Weight, g/mol:

519.13443

ΔHf, kcal/mol:

-365.67

Dipole, Da:

5.15

IP(EA), eV:

 -9.12(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate

Drug info:

PubChemData

Smile

C[C@]12CCC3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

DOS

IR

Vibrations