Geometry & MOs

Info

ID:	231952
PubChem CID:	87574983
Reduced:	NSO5C26H31 (1)
Stoich.:	ABC5D26E31 (1)
Weight, g/mol:	469.192294
ΔH_f, kcal/mol:	-199.47
Dipole, Da:	0.4
IP(EA), eV:	-9.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-acetylsulfanyl-2-benzyl-1-[3-(phenylmethoxycarbonylamino)propyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)S[C@H]1CCC[C@@]1(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations