Geometry & MOs

Info

ID:	242970
PubChem CID:	99214640
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	443.142739
ΔH_f, kcal/mol:	89.97
Dipole, Da:	3.51
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CCCN(CC#N)C(=O)/C=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations