Geometry & MOs

Info

ID:	121551
PubChem CID:	50773214
Reduced:	F2O3N4H16C21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	455.156909
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	3.96
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[N'-(pyridin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=NCC3=CC=NC=C3)NC(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations