Geometry & MOs

Info

ID:	38384
PubChem CID:	8034362
Reduced:	ClSN3O5C17H20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	4.62
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations