Geometry & MOs

Info

ID:

187064

PubChem CID:

77527454

Reduced:

ClSN7O10C33H34 (1)

Stoich.:

ABC7D10E33F34 (1)

Weight, g/mol:

481.172811

ΔHf, kcal/mol:

-323.16

Dipole, Da:

5.94

IP(EA), eV:

 -9.47(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl]amino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2CCC(C(C2)NC(=O)C3=NC4=C(S3)CN(CC4)C)NC(=O)C5=NC(=C6C=C(C=CC6=C5)Cl)OC(=O)CC(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations