Geometry & MOs

Info

ID:

150641

PubChem CID:

53790335

Reduced:

FO2N4H29C32 (1)

Stoich.:

AB2C4D29E32 (1)

Weight, g/mol:

504.088575

ΔHf, kcal/mol:

46.88

Dipole, Da:

7.03

IP(EA), eV:

 -8.38(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[(2-amino-2-phenylacetyl)amino]-3-[(4-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C(=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C#CCCCN5C(=CC=C5O)O

DOS

IR

Vibrations