Geometry & MOs

Info

ID:	275119
PubChem CID:	103813900
Reduced:	BrOSN3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	5.79
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(6-bromopyridin-3-yl)-2-phenylpropanamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1=CN=C(C=C1)Br)N

DOS

IR

Vibrations