Geometry & MOs

Info

ID:	244705
PubChem CID:	99376468
Reduced:	BrN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	406.03506
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	5.08
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(2-phenylethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC(=O)CCNC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations