Geometry & MOs

Info

ID:

324824

PubChem CID:

126678414

Reduced:

ClPN5O5C33H39 (1)

Stoich.:

ABC5D5E33F39 (1)

Weight, g/mol:

361.261694

ΔHf, kcal/mol:

-188.31

Dipole, Da:

6.83

IP(EA), eV:

 -8.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,8R,10S,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(2-hydroxyethyl)carbamate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2CN(C[C@H](O2)COP(=O)(N(C)CCNC)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations