Geometry & MOs

Info

ID:	32617
PubChem CID:	7846984
Reduced:	SN2F3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-202.37
Dipole, Da:	5.3
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations