Geometry & MOs

Info

ID:	33540
PubChem CID:	7886911
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	377.14495
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	2.66
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-naphthalen-2-ylsulfanylacetyl)phenyl]propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

DOS

IR

Vibrations