Geometry & MOs

Info

ID:	233906
PubChem CID:	92192339
Reduced:	BrNSO4C21H26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	3.43
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-chlorophenyl)methyl]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC(C)C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations