Geometry & MOs

Info

ID:	139454
PubChem CID:	52533272
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	381.160994
ΔH_f, kcal/mol:	3.48
Dipole, Da:	4.24
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@H](O1)C2=CC=CC=C2)C(=O)C3=CN=CN3C4=CC=CC=C4

DOS

IR

Vibrations