Geometry & MOs

Info

ID:	126058
PubChem CID:	50950056
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	5.88
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methanesulfonamido)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)propanamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

DOS

IR

Vibrations