Geometry & MOs

Info

ID:	236862
PubChem CID:	92715130
Reduced:	OS2N4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	480.197731
ΔH_f, kcal/mol:	10.04
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

DOS

IR

Vibrations