Geometry & MOs

Info

ID:	32646
PubChem CID:	7847027
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-107.9
Dipole, Da:	3.34
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations