Geometry & MOs

Info

ID:	269637
PubChem CID:	103618345
Reduced:	SN5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	234.005218
ΔH_f, kcal/mol:	34.16
Dipole, Da:	6.87
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)NCC1=NN=CN1CC

DOS

IR

Vibrations