Geometry & MOs

Info

ID:	69769
PubChem CID:	47205357
Reduced:	ClSN2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-138.92
Dipole, Da:	4.64
IP(EA), eV:	-9.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations