Geometry & MOs

Info

ID:

425492

PubChem CID:

135126539

Reduced:

O4C21H32 (1)

Stoich.:

A4B21C32 (1)

Weight, g/mol:

570.114888

ΔHf, kcal/mol:

-216.63

Dipole, Da:

1.47

IP(EA), eV:

 -9.42(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aS,5S,7aS)-7a-[5-[(Z)-2-(5-cyanopyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)C(O)O)CC=C4C3(CCC(C4)O)C

DOS

IR

Vibrations