Geometry & MOs

Info

ID:	38593
PubChem CID:	8137164
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	2.27
IP(EA), eV:	-8.64(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations