Geometry & MOs

Info

ID:	49260
PubChem CID:	11532375
Reduced:	ClFOSN6H18C20 (1)
Stoich.:	ABCDE6F18G20 (1)
Weight, g/mol:	444.052274
ΔH_f, kcal/mol:	35.97
Dipole, Da:	3.46
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2,5-dichlorobenzamide;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]2CN([C@@H]1CN2C(=O)C3=C(C(=CC=C3)Cl)F)CC4=CN=CC(=N4)NC5=NC=CS5

DOS

IR

Vibrations