Geometry & MOs

Info

ID:	69847
PubChem CID:	47205548
Reduced:	ClSN2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	3.97
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-2-ylethyl)-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)CC1=CC=C(C=C1)Cl)S(=O)(=O)C

DOS

IR

Vibrations