Geometry & MOs

Info

ID:

84183

PubChem CID:

49864820

Reduced:

O2N3F5H20C24 (1)

Stoich.:

A2B3C5D20E24 (1)

Weight, g/mol:

935.561958

ΔHf, kcal/mol:

-223.95

Dipole, Da:

2.65

IP(EA), eV:

 -9.28(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2,2-dimethyl-4-oxobutanoyl]oxymethyl]-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1(C2=C(C=CC(=C2F)F)N(C(=O)N1CC(F)(F)F)CC3=CC=[N+](C=C3)[O-])C4=CC=CC=C4

DOS

IR

Vibrations