Geometry & MOs

Info

ID:	242795
PubChem CID:	99206366
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	499.204196
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	5.41
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations