Geometry & MOs

Info

ID:	314763
PubChem CID:	126623025
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	298.99055
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromopyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=NC4CCCCC4S3)CC(=O)O

DOS

IR

Vibrations