Geometry & MOs

Info

ID:	172675
PubChem CID:	75539667
Reduced:	BrON5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	376.125692
ΔH_f, kcal/mol:	56.32
Dipole, Da:	4.95
IP(EA), eV:	-9.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)ethyl]-3-(2-phenylethenylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NC(=O)C2=NC=C(C=C2)Br

DOS

IR

Vibrations