Geometry & MOs

Info

ID:	351013
PubChem CID:	127279450
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	7.96
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations