Geometry & MOs

Info

ID:

12214

PubChem CID:

132444

Reduced:

SCl2N4O8C24H28 (1)

Stoich.:

AB2C4D8E24F28 (1)

Weight, g/mol:

602.10049

ΔHf, kcal/mol:

-310.06

Dipole, Da:

9.59

IP(EA), eV:

 -9.01(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)COC(=O)NC3=CC=C(C=C3)N(CCCl)CCCl

DOS

IR

Vibrations