Geometry & MOs

Info

ID:	18063
PubChem CID:	535887
Reduced:	SN3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	159.083019
ΔH_f, kcal/mol:	16.68
Dipole, Da:	1.29
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(pentan-2-ylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCC(=NN=C(N)S)C

DOS

IR

Vibrations