Geometry & MOs

Info

ID:	163981
PubChem CID:	74381214
Reduced:	FSO5H15C21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	366.124739
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	3.73
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)F

DOS

IR

Vibrations