Geometry & MOs

Info

ID:

187399

PubChem CID:

77569026

Reduced:

ClS2O4N8C36H37 (1)

Stoich.:

AB2C4D8E36F37 (1)

Weight, g/mol:

681.202397

ΔHf, kcal/mol:

-18.35

Dipole, Da:

4.62

IP(EA), eV:

 -8.89(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]pentanoyl]-5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N5CCCC5)C#N)NC(=O)C(CCN)N

DOS

IR

Vibrations