Geometry & MOs

Info

ID:

189562

PubChem CID:

77873984

Reduced:

SF3N3O7H22C23 (1)

Stoich.:

AB3C3D7E22F23 (1)

Weight, g/mol:

491.045707

ΔHf, kcal/mol:

-369.96

Dipole, Da:

9.27

IP(EA), eV:

 -8.87(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 3-hydroxy-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

COCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC4=CC=CC=C4C=C3)SC1)C(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations