Geometry & MOs

Info

ID:	56514
PubChem CID:	17436012
Reduced:	ClS2N3O4C16H20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	4.91
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations