Geometry & MOs

Info

ID:

424775

PubChem CID:

135123878

Reduced:

SO4N9C34H41 (1)

Stoich.:

AB4C9D34E41 (1)

Weight, g/mol:

632.29987

ΔHf, kcal/mol:

-21.0

Dipole, Da:

2.5

IP(EA), eV:

 -8.48(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NC4=CN=C(N=C4)NC)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations