Geometry & MOs

Info

ID:	86084
PubChem CID:	49881725
Reduced:	OS2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	430.186104
ΔH_f, kcal/mol:	23.5
Dipole, Da:	9.39
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NCCC2=CC=CC=C2)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations