Geometry & MOs

Info

ID:

47588

PubChem CID:

10534500

Reduced:

O15N17C65H95 (1)

Stoich.:

A15B17C65D95 (1)

Weight, g/mol:

1354.548053

ΔHf, kcal/mol:

-598.62

Dipole, Da:

2.71

IP(EA), eV:

 -9.47(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]pentyl]carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)C[C@H](C(=O)N[C@@H](CO)C(=O)N5CC6=CC=CC=C6C[C@@H]5C(=O)N7[C@@H](CC8C7CCCC8)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations