Geometry & MOs

Info

ID:	435447
PubChem CID:	135191480
Reduced:	SO3N7C30H39 (1)
Stoich.:	AB3C7D30E39 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	6.21
IP(EA), eV:	-8.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylpropyl)phenyl]-N-oxopropanamide

Drug info:

PubChemData

Smile

CCCCOC(C)C1=CN(C2=NC(=NC(=C12)NC3CC3)NC4(CC=C(C(=C4)N)C=N)C)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations