Geometry & MOs

Info

ID:

189576

PubChem CID:

77875681

Reduced:

N3O3C19H21 (1)

Stoich.:

A3B3C19D21 (1)

Weight, g/mol:

665.128391

ΔHf, kcal/mol:

-74.92

Dipole, Da:

5.64

IP(EA), eV:

 -8.98(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxycarbonyloxyethyl 7-[[2-[2-(2-aminopropanoyl)phenyl]-2-hydroxyacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(=O)NNC1C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations