Geometry & MOs

Info

ID:

229860

PubChem CID:

87569384

Reduced:

Cl2S2N4O7C29H36 (1)

Stoich.:

A2B2C4D7E29F36 (1)

Weight, g/mol:

686.140247

ΔHf, kcal/mol:

-286.67

Dipole, Da:

4.89

IP(EA), eV:

 -9.29(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino] 3-methylbutanethioate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)SCCCCC(=O)N(C[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)N3CCOCC3=O)C(=O)C4=CC=C(S4)Cl)N.Cl

DOS

IR

Vibrations