Geometry & MOs

Info

ID:	401372
PubChem CID:	135051086
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	205.063346
ΔH_f, kcal/mol:	-177.27
Dipole, Da:	4.04
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[amino(nitramido)methylidene]-3-propan-2-ylthiourea

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC2=CC=CC=C2N1)OS(=O)(=O)C

DOS

IR

Vibrations