Geometry & MOs

Info

ID:

7534

PubChem CID:

73246

Reduced:

SN5O8C23H29 (1)

Stoich.:

AB5C8D23E29 (1)

Weight, g/mol:

535.173684

ΔHf, kcal/mol:

-303.11

Dipole, Da:

8.85

IP(EA), eV:

 -9.63(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[(2R)-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;hydrate

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.O

DOS

IR

Vibrations