Geometry & MOs

Info

ID:	68879
PubChem CID:	46511027
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	5.44
IP(EA), eV:	-9.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(C2=CC=CC=C2)O)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations