Geometry & MOs

Info

ID:	315371
PubChem CID:	126625734
Reduced:	ClON6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	423.163744
ΔH_f, kcal/mol:	32.88
Dipole, Da:	4.68
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N'-[1,3-diamino-3-(4-chlorophenyl)propyl]-N-propan-2-ylcarbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)CN=C(NC(CC(C1=CC=C(C=C1)Cl)N)N)NC(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations