Geometry & MOs

Info

ID:	231951
PubChem CID:	87574982
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	469.192294
ΔH_f, kcal/mol:	-86.42
Dipole, Da:	5.07
IP(EA), eV:	-10.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCOCCOC#N

DOS

IR

Vibrations