Geometry & MOs

Info

ID:	56111
PubChem CID:	17404499
Reduced:	FOSN3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-27.01
Dipole, Da:	4.29
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-anilino-2-oxoethyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC(=O)NCC2=CC=CC=C2F)CC3=CC=CC=C3

DOS

IR

Vibrations