Geometry & MOs

Info

ID:	344160
PubChem CID:	127267336
Reduced:	BrClOSN2C12H14 (1)
Stoich.:	ABCDE2F12G14 (1)
Weight, g/mol:	346.00837
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-chloropyridin-2-yl)-N-(2-cyclopropyl-2-hydroxypropyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)CC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations