Geometry & MOs

Info

ID:	244675
PubChem CID:	99376363
Reduced:	S2N3O4H19C23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	1.45
IP(EA), eV:	-8.63(-1.23)
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-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CCN4C=NC5=C(C4=O)C=CS5

DOS

IR

Vibrations