Geometry & MOs

Info

ID:

179515

PubChem CID:

76491873

Reduced:

O3N6C48H56 (1)

Stoich.:

A3B6C48D56 (1)

Weight, g/mol:

730.234006

ΔHf, kcal/mol:

14.45

Dipole, Da:

12.47

IP(EA), eV:

 -8.45(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfinyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C(=O)C(=C2NC(NC(N2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)CC5=C(C(=CC(=C5)C(C)(C)CCCCC)N6N=C7C=CC=CC7=N6)O

DOS

IR

Vibrations