Geometry & MOs

Info

ID:	122710
PubChem CID:	50818131
Reduced:	ClN4O4C23H23 (1)
Stoich.:	AB4C4D23E23 (1)
Weight, g/mol:	451.141117
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	2.54
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=NCC2=CN=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations