Geometry & MOs

Info

ID:	73445
PubChem CID:	48417715
Reduced:	ClO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	4.66
IP(EA), eV:	-8.23(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)NC(=O)C3=NNC(=O)C=C3)Cl

DOS

IR

Vibrations