Geometry & MOs

Info

ID:	26421
PubChem CID:	647312
Reduced:	N3O7C26H27 (1)
Stoich.:	A3B7C26D27 (1)
Weight, g/mol:	431.144967
ΔH_f, kcal/mol:	-191.31
Dipole, Da:	4.87
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C(C2=CC=CO2)N(C3=CC4=C(C=C3)OCCO4)C(=O)CNC(=O)C5=CC=CO5

DOS

IR

Vibrations