Geometry & MOs

Info

ID:

224123

PubChem CID:

85338484

Reduced:

SCl2N5O5C31H35 (1)

Stoich.:

AB2C5D5E31F35 (1)

Weight, g/mol:

661.269396

ΔHf, kcal/mol:

-153.21

Dipole, Da:

6.92

IP(EA), eV:

 -8.7(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]methyl]-2-nitrothiophen-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)N=C(N)NC3=CC=CC=C3NS(=O)(=O)CC4CCCCC4

DOS

IR

Vibrations