Geometry & MOs

Info

ID:	156358
PubChem CID:	56370251
Reduced:	FON5C24H30 (1)
Stoich.:	ABC5D24E30 (1)
Weight, g/mol:	423.139882
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	1.28
IP(EA), eV:	-8.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC(=C(C=C4)N(C)C(C)C)F

DOS

IR

Vibrations