Geometry & MOs

Info

ID:	373562
PubChem CID:	131317275
Reduced:	NOSC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	290.00662
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	4.49
IP(EA), eV:	-8.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-bromo-6-fluoropyridin-3-yl)carbamate

Drug info:

PubChemData

Smile

CSC1=C2N(C=C(S2)C(=O)O)C(=N1)C3CC3

DOS

IR

Vibrations