Geometry & MOs

Info

ID:	314904
PubChem CID:	126623949
Reduced:	BrFSO4N6H24C26 (1)
Stoich.:	ABCD4E6F24G26 (1)
Weight, g/mol:	346.99393
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	2.86
IP(EA), eV:	-9.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-1,3-thiazole-2-carbonyl)amino]methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4CS(=O)(=O)C5=NC(=CC=C5)Br)F

DOS

IR

Vibrations