Geometry & MOs

Info

ID:	32405
PubChem CID:	7783626
Reduced:	ClSO2N5H10C11 (1)
Stoich.:	ABC2D5E10F11 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	88.32
Dipole, Da:	7.23
IP(EA), eV:	-8.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

CCC1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations