Geometry & MOs

Info

ID:	166372
PubChem CID:	74678650
Reduced:	F2N4O5C24H34 (1)
Stoich.:	A2B4C5D24E34 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-322.08
Dipole, Da:	9.12
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2C(C(CC(N2)C(C)C)C(=O)N(C)CC3=CC(=C(C=C3)OC(F)F)OCC)C(=O)NC1=O

DOS

IR

Vibrations