Geometry & MOs

Info

ID:

315267

PubChem CID:

126625329

Reduced:

O2C9H14 (1)

Stoich.:

A2B9C14 (1)

Weight, g/mol:

896.396548

ΔHf, kcal/mol:

-72.04

Dipole, Da:

1.9

IP(EA), eV:

-10.26(1.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S,4R,6R,11S,13R,14S,18R)-13-(methoxymethyl)-18-(7-methoxy-3-propan-2-ylquinoxalin-2-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-14-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2(CC23C1(CC3)O)CO

DOS

IR

Vibrations