Geometry & MOs

Info

ID:	157362
PubChem CID:	56423122
Reduced:	ClOS2N3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	401.06009
ΔH_f, kcal/mol:	71.89
Dipole, Da:	2.17
IP(EA), eV:	-9.39(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(S2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4)Cl

DOS

IR

Vibrations