Geometry & MOs

Info

ID:	214399
PubChem CID:	84981898
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-16.67
Dipole, Da:	2.29
IP(EA), eV:	-9.37(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-3-(3-methoxypropyl)-1-methylthiourea

Drug info:

PubChemData

Smile

C1CC(C=C1)CC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations