Geometry & MOs

Info

ID:	32458
PubChem CID:	7836418
Reduced:	SN2O5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	404.059756
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	3.02
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations