Geometry & MOs

Info

ID:	27833
PubChem CID:	823783
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	3.92
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(naphthalen-1-ylcarbamothioyl)propanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)C3=CC=CS3)O

DOS

IR

Vibrations