Geometry & MOs

Info

ID:	52703
PubChem CID:	12015724
Reduced:	N5O8C23H31 (1)
Stoich.:	A5B8C23D31 (1)
Weight, g/mol:	353.9883
ΔH_f, kcal/mol:	-263.83
Dipole, Da:	5.32
IP(EA), eV:	-9.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(ethylamino)pyridin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O/N=C(/C1=CC=C(C=C1)C2=NO[C@H](C2)CC(=O)NC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)\N

DOS

IR

Vibrations