Geometry & MOs

Info

ID:	155645
PubChem CID:	56366568
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	417.01466
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	3.73
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-[(4-cyanophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2)Cl)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations