Geometry & MOs

Info

ID:

219337

PubChem CID:

85098816

Reduced:

S2O6N8C41H50 (1)

Stoich.:

A2B6C8D41E50 (1)

Weight, g/mol:

818.277478

ΔHf, kcal/mol:

-190.59

Dipole, Da:

6.14

IP(EA), eV:

 -8.45(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3-(methoxymethyl)-2,4-dioxo-1-(phenylmethoxymethyl)-5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

C1CNCCC1(C(=O)O)NC(=O)C(CC2=CSC3=CC=CC=C32)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CS6)NC(=O)C(CCCCN)N

DOS

IR

Vibrations