Geometry & MOs

Info

ID:

424912

PubChem CID:

135124420

Reduced:

SO3N7C37H45 (1)

Stoich.:

AB3C7D37E45 (1)

Weight, g/mol:

604.26857

ΔHf, kcal/mol:

-1.67

Dipole, Da:

3.41

IP(EA), eV:

 -8.39(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[3-(1,4-dimethylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(C=CC=N2)S(N(C1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=CC=C6)C)(O)O

DOS

IR

Vibrations