Geometry & MOs

Info

ID:

141849

PubChem CID:

52938280

Reduced:

N2O4C23H28 (1)

Stoich.:

A2B4C23D28 (1)

Weight, g/mol:

1239.450056

ΔHf, kcal/mol:

-96.86

Dipole, Da:

0.99

IP(EA), eV:

 -8.38(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)sulfonylethyl 3-[2-[[3-[[9-[(2R,4R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-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

COC1=CC2=C(C=C1)N(CCC(=O)N(C2)C3CC3)CC(C4=CC=CC=C4OC)O

DOS

IR

Vibrations