Geometry & MOs

Info

ID:	86095
PubChem CID:	49881804
Reduced:	OS2N4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	418.186104
ΔH_f, kcal/mol:	74.32
Dipole, Da:	8.63
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

DOS

IR

Vibrations