Geometry & MOs

Info

ID:	79556
PubChem CID:	49829489
Reduced:	ClO2N4C22H37 (1)
Stoich.:	AB2C4D22E37 (1)
Weight, g/mol:	442.15941
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	7.12
IP(EA), eV:	-5.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(2-chlorophenyl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)N(C(C)CC)C(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations