Geometry & MOs

Info

ID:	244569
PubChem CID:	99365005
Reduced:	OSN2C25H26 (1)
Stoich.:	ABC2D25E26 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	24.61
Dipole, Da:	3.45
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

Drug info:

PubChemData

Smile

C1CSCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4

DOS

IR

Vibrations