Geometry & MOs

Info

ID:	70039
PubChem CID:	47207052
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	303.088892
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	3.18
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C(C)C(=O)NCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations