Geometry & MOs

Info

ID:	200385
PubChem CID:	79380609
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	313.120861
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	2.41
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCNC1=C(C=CC=N1)S(=O)(=O)NCCC(=O)NC2CC2

DOS

IR

Vibrations