Geometry & MOs

Info

ID:	37689
PubChem CID:	8023282
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	397.171165
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.17
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-1-phenylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCC(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations