Geometry & MOs

Info

ID:

424729

PubChem CID:

135123721

Reduced:

N3O4H27C29 (1)

Stoich.:

A3B4C27D29 (1)

Weight, g/mol:

618.28422

ΔHf, kcal/mol:

-31.64

Dipole, Da:

2.3

IP(EA), eV:

 -8.24(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3O)C4=C(C=NN4C5=CC=CC=C5)OC)C6(C2=O)CCC6

DOS

IR

Vibrations