Geometry & MOs

Info

ID:	302206
PubChem CID:	124360343
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	1.42
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)[C@H](C)NC(=O)[C@H]1C(S[C@@H]2N1C(=O)C3=CC=CC=C23)(C)C

DOS

IR

Vibrations