Geometry & MOs

Info

ID:

356

PubChem CID:

2645

Reduced:

S2N5O9C21H27 (1)

Stoich.:

A2B5C9D21E27 (1)

Weight, g/mol:

557.12502

ΔHf, kcal/mol:

-266.83

Dipole, Da:

1.87

IP(EA), eV:

 -9.2(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-propan-2-yloxycarbonyloxyethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC

DOS

IR

Vibrations