Geometry & MOs

Info

ID:

349

PubChem CID:

2630

Reduced:

S2O8N9C25H27 (1)

Stoich.:

A2B8C9D25E27 (1)

Weight, g/mol:

645.142401

ΔHf, kcal/mol:

-183.32

Dipole, Da:

6.43

IP(EA), eV:

 -9.56(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-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(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

DOS

IR

Vibrations