Geometry & MOs

Info

ID:	166373
PubChem CID:	74678888
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	2.25
IP(EA), eV:	-8.68(-0.14)
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-naphthalen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)N3CCOCC3

DOS

IR

Vibrations