Geometry & MOs

Info

ID:	65400
PubChem CID:	29214859
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	325.128255
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	4.94
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiourea

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(CC2)OCC3=CC=CC=N3

DOS

IR

Vibrations