Geometry & MOs

Info

ID:	165962
PubChem CID:	74619678
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	486.182458
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	2.27
IP(EA), eV:	-9.06(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoylamino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2C=CC(=CC2=NC1=S)C(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations