Geometry & MOs

Info

ID:	349550
PubChem CID:	127275437
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	3.62
IP(EA), eV:	-8.53(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)NC(=O)N3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations