Geometry & MOs

Info

ID:	217990
PubChem CID:	85088703
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	6.96
IP(EA), eV:	-8.49(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)C=C1

DOS

IR

Vibrations