Geometry & MOs

Info

ID:	86132
PubChem CID:	49882116
Reduced:	ClOS2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	404.170454
ΔH_f, kcal/mol:	41.26
Dipole, Da:	4.99
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations