Geometry & MOs

Info

ID:	9506
PubChem CID:	90371
Reduced:	BrNSO3C8H10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	278.95648
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	3.55
IP(EA), eV:	-9.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@H](C2=O)Br)C(=O)O)C

DOS

IR

Vibrations