Geometry & MOs

Info

ID:	32605
PubChem CID:	7846959
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	4.1
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations