Geometry & MOs

Info

ID:	327729
PubChem CID:	126690911
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	214.025753
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	5.6
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-chloropyrimidin-4-yl)amino]-N-oxopropanamide

Drug info:

PubChemData

Smile

CCN(C)[C@@H]1CC2=C(C=C(C=C2)O)C([C@H]1NCCC3=CC=C(C=C3)S(=O)(=O)C)(C)C

DOS

IR

Vibrations