Geometry & MOs

Info

ID:

340

PubChem CID:

2619

Reduced:

S2N9O9C22H29 (1)

Stoich.:

A2B9C9D22E29 (1)

Weight, g/mol:

627.152966

ΔHf, kcal/mol:

-255.47

Dipole, Da:

4.58

IP(EA), eV:

 -9.47(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)C(=O)NC(C(C)O)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC

DOS

IR

Vibrations