Geometry & MOs

Info

ID:	441336
PubChem CID:	135234196
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	1.75
IP(EA), eV:	-8.58(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N'-methyl-N-(2-pyridin-2-ylacetyl)carbamimidoyl] cyclohexanecarboximidothioate

Drug info:

PubChemData

Smile

CC(C)(/C=C(\N)/OC)OC

DOS

IR

Vibrations