Geometry & MOs

Info

ID:	339633
PubChem CID:	127261623
Reduced:	SN4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	200.073182
ΔH_f, kcal/mol:	28.87
Dipole, Da:	5.08
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(2-oxoazepan-3-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

C1CC2/C(=N/NC(=S)N)/CCN2C1

DOS

IR

Vibrations