Geometry & MOs

Info

ID:	69830
PubChem CID:	47205485
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	8.82
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylpyridin-2-yl)-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations