Geometry & MOs

Info

ID:

1167

PubChem CID:

3900

Reduced:

SN3O7C21H23 (1)

Stoich.:

AB3C7D21E23 (1)

Weight, g/mol:

461.125671

ΔHf, kcal/mol:

-229.13

Dipole, Da:

9.72

IP(EA), eV:

 -9.68(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)C2C(SC3N2C(=O)C3NC(=O)C(C4=CC=CC=C4)N)(C)C

DOS

IR

Vibrations