Geometry & MOs

Info

ID:	244324
PubChem CID:	99343998
Reduced:	O2N6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	378.076217
ΔH_f, kcal/mol:	64.44
Dipole, Da:	5.01
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=NN2CC(=O)NC3=CN(N=C3)CC4=CC=NC=C4

DOS

IR

Vibrations