Geometry & MOs

Info

ID:

141850

PubChem CID:

52938281

Reduced:

PSN9O14C63H70 (1)

Stoich.:

ABC9D14E63F70 (1)

Weight, g/mol:

1582.543378

ΔHf, kcal/mol:

-410.25

Dipole, Da:

19.14

IP(EA), eV:

 -8.48(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)sulfonylethyl 3-[2-[[3-[[9-[(2R,4R)-5-[[[(3R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@@H](OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5NC(=NC6=O)NC(=O)CCNC(=O)CC7=CN(C8=CC=CC=C87)C(=O)OCCS(=O)(=O)C9=CC=C(C=C9)OC

DOS

IR

Vibrations