Geometry & MOs

Info

ID:	244332
PubChem CID:	99344070
Reduced:	SN5O5C20H23 (1)
Stoich.:	AB5C5D20E23 (1)
Weight, g/mol:	422.135446
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	7.0
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN(N=C2)CC3=CC=NC=C3)OC

DOS

IR

Vibrations