Geometry & MOs

Info

ID:	40224
PubChem CID:	8143775
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	5.12
IP(EA), eV:	-8.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N\N(C)C

DOS

IR

Vibrations