Geometry & MOs

Info

ID:	189276
PubChem CID:	77836642
Reduced:	N4O7C20H22 (1)
Stoich.:	A4B7C20D22 (1)
Weight, g/mol:	505.89697
ΔH_f, kcal/mol:	-230.73
Dipole, Da:	4.52
IP(EA), eV:	-8.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(N-acetyl-2-bromoanilino)-4-(bromomethyl)-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)CNC(=O)OC#N

DOS

IR

Vibrations