Geometry & MOs

Info

ID:	357462
PubChem CID:	127294095
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	4.96
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C4=NOC=N4

DOS

IR

Vibrations