Geometry & MOs

Info

ID:	245183
PubChem CID:	99437810
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	9.22
IP(EA), eV:	-9.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C2=NC(=NO2)C3=CN=CC=C3)C(C)C

DOS

IR

Vibrations