Geometry & MOs

Info

ID:	243014
PubChem CID:	99215060
Reduced:	NOSC11H13 (2)
Stoich.:	ABCD11E13 (2)
Weight, g/mol:	454.097678
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	5.86
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(trifluoromethyl)pyrazol-1-yl]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)CCCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations