Geometry & MOs

Info

ID:	185640
PubChem CID:	77324057
Reduced:	BrSN3O5C10H12 (1)
Stoich.:	ABC3D5E10F12 (1)
Weight, g/mol:	424.178041
ΔH_f, kcal/mol:	-155.43
Dipole, Da:	8.13
IP(EA), eV:	-9.73(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[5-(pyrrolidin-3-ylcarbamoyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCC1OC(=O)NS(=O)(=O)C2C=C(C=NC2=O)Br

DOS

IR

Vibrations