Geometry & MOs

Info

ID:

14085

PubChem CID:

403790

Reduced:

S2N4O11C23H34 (1)

Stoich.:

A2B4C11D23E34 (1)

Weight, g/mol:

606.16655

ΔHf, kcal/mol:

-476.96

Dipole, Da:

4.97

IP(EA), eV:

 -8.92(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoate;sulfuric acid

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C(CSCC1C2=CC=CC=C2NC1=O)NC(=O)CCC(C(=O)OCC)N.OS(=O)(=O)O

DOS

IR

Vibrations