Geometry & MOs

Info

ID:	154180
PubChem CID:	56313583
Reduced:	N2S2O5C19H24 (1)
Stoich.:	A2B2C5D19E24 (1)
Weight, g/mol:	451.21951
ΔH_f, kcal/mol:	-181.22
Dipole, Da:	2.56
IP(EA), eV:	-8.68(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCCCCC(=O)OC

DOS

IR

Vibrations