Geometry & MOs

Info

ID:

159968

PubChem CID:

57304220

Reduced:

BrC10H13 (1)

Stoich.:

AB10C13 (1)

Weight, g/mol:

732.067103

ΔHf, kcal/mol:

64.18

Dipole, Da:

1.78

IP(EA), eV:

-10.14(0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3R,5R,6R)-3-[3-[2-(carbamoylhydrazinylidene)ethylideneamino]-2-oxoimidazolidin-1-yl]-6-[[2-(4,5-diacetyloxy-2-chlorophenyl)-2-sulfoacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC#CCC1(CC1CC=C)Br

DOS

IR

Vibrations