Geometry & MOs

Info

ID:

1657

PubChem CID:

4835

Reduced:

SN5O7C23H27 (1)

Stoich.:

AB5C7D23E27 (1)

Weight, g/mol:

517.163119

ΔHf, kcal/mol:

-249.44

Dipole, Da:

5.7

IP(EA), eV:

 -9.77(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

DOS

IR

Vibrations