Geometry & MOs

Info

ID:	214400
PubChem CID:	84981917
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	6.59
IP(EA), eV:	-8.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]-3-(3-methoxypropyl)-1-methylthiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCCCOC)NC(=O)C=CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations