Geometry & MOs

Info

ID:	379587
PubChem CID:	134448056
Reduced:	OSN4C27H30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	39.66
Dipole, Da:	6.84
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(1,3-thiazol-4-yl)propanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)CCC2C3=NC4=C(N3C)C=CC(=C4)C[C@@H]5CCC(N5)[C@@H](C6=CC=CC=C6)O

DOS

IR

Vibrations