Geometry & MOs

Info

ID:	131460
PubChem CID:	51209416
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	65.98
Dipole, Da:	4.2
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)SC3=NN=C(N3C)C4=CC=CO4

DOS

IR

Vibrations