Geometry & MOs

Info

ID:	243875
PubChem CID:	99300557
Reduced:	NS2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	409.03473
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	1.68
IP(EA), eV:	-8.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=CS1)NC(=O)CSCCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations