Geometry & MOs

Info

ID:

220097

PubChem CID:

85165238

Reduced:

O10C12H21 (2)

Stoich.:

A10B12C21 (2)

Weight, g/mol:

650.208021

ΔHf, kcal/mol:

-902.24

Dipole, Da:

9.95

IP(EA), eV:

 -10.02(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3-[ethyl(methyl)amino]-3-oxopropyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]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

C1C(OC(C(C1O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)CO

DOS

IR

Vibrations