Geometry & MOs

Info

ID:	77474
PubChem CID:	49640652
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(tert-butylsulfonylmethyl)phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]oxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NCCC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations