Geometry & MOs

Info

ID:	38497
PubChem CID:	8136912
Reduced:	NS2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-80.1
Dipole, Da:	3.88
IP(EA), eV:	-8.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-hexoxybenzamide

Drug info:

PubChemData

Smile

COC(=O)CCSCC(=O)N1[C@@H](CSC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations