Geometry & MOs

Info

ID:

424674

PubChem CID:

135123574

Reduced:

BrF2N3H4C8 (1)

Stoich.:

AB2C3D4E8 (1)

Weight, g/mol:

738.319954

ΔHf, kcal/mol:

-14.41

Dipole, Da:

3.17

IP(EA), eV:

-10.09(-1.19)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R)-4-benzyl-3-[(2R,3S)-3-[3-[[(4R)-4-ethyl-1,1-dihydroxy-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropanoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)N2C(=NC=N2)Br

DOS

IR

Vibrations