Geometry & MOs

Info

ID:

168440

PubChem CID:

74967969

Reduced:

P2O8C14H19 (1)

Stoich.:

A2B8C14D19 (1)

Weight, g/mol:

497.151509

ΔHf, kcal/mol:

-211.28

Dipole, Da:

6.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.037361

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[1-(3-amino-3-oxopropyl)tetrazol-5-yl]sulfanylmethyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCOP(=O)([O-])OP(=O)([O-])[O-])CCCOCC1=CC=CC=C1

DOS

IR

Vibrations