Geometry & MOs

Info

ID:

180883

PubChem CID:

76699389

Reduced:

SF2O6N7C22H25 (1)

Stoich.:

AB2C6D7E22F25 (1)

Weight, g/mol:

602.157066

ΔHf, kcal/mol:

-221.04

Dipole, Da:

7.27

IP(EA), eV:

 -9.25(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[4-[1-(4-acetamidophenyl)sulfonyl-1,2,5-triazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NC(=O)N2CCN(CCO2)C3=C(C=C(C=C3F)N4CC(OC4=O)CNC(=S)OC)F

DOS

IR

Vibrations