Geometry & MOs

Info

ID:	128147
PubChem CID:	51032591
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	278.053214
ΔH_f, kcal/mol:	-156.45
Dipole, Da:	5.51
IP(EA), eV:	-8.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[1-(4-methoxyphenyl)ethylsulfanyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C3C2=O

DOS

IR

Vibrations