Geometry & MOs

Info

ID:	148175
PubChem CID:	53787837
Reduced:	BrN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	532.108641
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	5.16
IP(EA), eV:	-8.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-(benzoylsulfamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=CC2=C(C(=CN=C21)C(=O)NCCC3=CC=NC=C3)Br)OC

DOS

IR

Vibrations