Geometry & MOs

Info

ID:

4383

PubChem CID:

11329

Reduced:

ClS2N4O6C26H37 (1)

Stoich.:

AB2C4D6E26F37 (1)

Weight, g/mol:

600.184305

ΔHf, kcal/mol:

-234.62

Dipole, Da:

8.76

IP(EA), eV:

 -8.61(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C

DOS

IR

Vibrations