Geometry & MOs

Info

ID:	238001
PubChem CID:	92728769
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	433.087846
ΔH_f, kcal/mol:	16.36
Dipole, Da:	4.77
IP(EA), eV:	-8.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC(=CS3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations