Geometry & MOs

Info

ID:	245182
PubChem CID:	99437808
Reduced:	O3N5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	42.73
Dipole, Da:	5.8
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@@H](C4=NC(=NO4)C5=CN=CC=C5)C(C)C

DOS

IR

Vibrations