Geometry & MOs

Info

ID:	32614
PubChem CID:	7846976
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	6.28
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C=C2COC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations