Geometry & MOs

Info

ID:	169212
PubChem CID:	75076072
Reduced:	ClKSN2O7C26H30 (1)
Stoich.:	ABCD2E7F26G30 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-320.64
Dipole, Da:	13.58
IP(EA), eV:	-8.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-3-hydroxy-N,N-bis(prop-2-enyl)propanethioamide

Drug info:

PubChemData

Smile

CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)NC4=NC=CS4.[Cl-].[K+]

DOS

IR

Vibrations