Geometry & MOs

Info

ID:	38987
PubChem CID:	8138298
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	1.03
IP(EA), eV:	-8.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations