Geometry & MOs

Info

ID:

176932

PubChem CID:

76114754

Reduced:

SiN6O6C37H44 (1)

Stoich.:

AB6C6D37E44 (1)

Weight, g/mol:

621.138128

ΔHf, kcal/mol:

-112.57

Dipole, Da:

6.69

IP(EA), eV:

 -9.21(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-(acetyloxymethyl)-7-(difluoromethyl)-7-[(4-nitrophenyl)methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C3C(C(C(O3)N4C=NC5=C(N=CN=C54)NC(=O)C6=CC=CC=C6)OCCON(C)C)O)O

DOS

IR

Vibrations