Geometry & MOs

Info

ID:	155151
PubChem CID:	56320845
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	488.16714
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	5.67
IP(EA), eV:	-9.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetyl]amino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations