Geometry & MOs

Info

ID:

222124

PubChem CID:

85294534

Reduced:

NSi2O4C48H83 (1)

Stoich.:

AB2C4D48E83 (1)

Weight, g/mol:

795.188014

ΔHf, kcal/mol:

-349.53

Dipole, Da:

3.76

IP(EA), eV:

 -8.83(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[4-[[6-(1-hydroxyethyl)-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]methyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=CC(C(CO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OC(C)(C)C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations