Geometry & MOs

Info

ID:	277199
PubChem CID:	103827269
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	214.050905
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	3.18
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-amino-2-chloropyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations