Geometry & MOs

Info

ID:	155726
PubChem CID:	56367190
Reduced:	S2N3O4H19C23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	461.086784
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	2.05
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CCC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations