Geometry & MOs

Info

ID:	157489
PubChem CID:	56430586
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	3.84
IP(EA), eV:	-9.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C

DOS

IR

Vibrations