Geometry & MOs

Info

ID:	10051
PubChem CID:	96581
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	13.14
Dipole, Da:	1.95
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclohexyl-N-(pyridine-4-carbonylamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C(NNC(=O)C2=CC=NC=C2)S

DOS

IR

Vibrations