Geometry & MOs

Info

ID:

146614

PubChem CID:

53717629

Reduced:

ClNO4H24C25 (1)

Stoich.:

ABC4D24E25 (1)

Weight, g/mol:

505.046101

ΔHf, kcal/mol:

-115.72

Dipole, Da:

3.93

IP(EA), eV:

 -8.93(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-3,3-dimethyl-6-[methylsulfonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCC1(C2=C3C(=CC(=CC3=C(C=C2)OC)Cl)C1=O)CC4=CC=NC=C4

DOS

IR

Vibrations