Geometry & MOs

Info

ID:	218387
PubChem CID:	85089263
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	3.9
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-phenylmethoxyoctanoic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)N1C=C(C2=C1C=C(C=C2)OCCOC)C(=O)C3CSC(N3)C4=CN=CC=C4

DOS

IR

Vibrations