Geometry & MOs

Info

ID:

313079

PubChem CID:

126611708

Reduced:

N2O3F9C27H33 (1)

Stoich.:

A2B3C9D27E33 (1)

Weight, g/mol:

975.504911

ΔHf, kcal/mol:

-537.48

Dipole, Da:

1.84

IP(EA), eV:

 -9.11(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(13S,17S)-3-[3-[[(3R)-3-[[di(propan-2-yl)amino]-(3-iminopropoxy)phosphanyl]oxycyclopentyl]-methylamino]propoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl-methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2OCCN(C)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCC4=C3C=CC(=C4)N=O

DOS

IR

Vibrations