Geometry & MOs

Info

ID:	47145
PubChem CID:	10529967
Reduced:	O5F6C25H26 (1)
Stoich.:	A5B6C25D26 (1)
Weight, g/mol:	520.199107
ΔH_f, kcal/mol:	-457.66
Dipole, Da:	5.61
IP(EA), eV:	-9.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-1-phosphonobutyl]phosphonic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CO[C@H](COC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)[C@H](/C=C/COCC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CO[C@H](COC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)[C@H](/C=C/COCC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):