Geometry & MOs

Info

ID:	227193
PubChem CID:	87560509
Reduced:	ClSF4N5O5C30H32 (1)
Stoich.:	ABC4D5E5F30G32 (1)
Weight, g/mol:	452.18667
ΔH_f, kcal/mol:	-283.93
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminoacetyl) 4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoate;hydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN(CCCCON=C1CC2=C(NC=NC2C=C1)NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations