Geometry & MOs

Info

ID:

90

PubChem CID:

2103

Reduced:

FP3N8O17C23H38 (1)

Stoich.:

AB3C8D17E23F38 (1)

Weight, g/mol:

810.155181

ΔHf, kcal/mol:

-948.79

Dipole, Da:

8.87

IP(EA), eV:

 -9.65(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[4-[[3-[(4-amino-3-fluoro-4-oxobutyl)amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCC(C(=O)N)F)O

DOS

IR

Vibrations