Geometry & MOs

Info

ID:	315390
PubChem CID:	126625816
Reduced:	FO2N7C24H28 (1)
Stoich.:	AB2C7D24E28 (1)
Weight, g/mol:	428.213616
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	2.38
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N-tert-butyl-N'-[1,3-diamino-3-(3,5-difluorophenyl)propyl]carbamimidoyl]-3-cyanobenzamide

Drug info:

PubChemData

Smile

C[C@@H](COC)N=C(NC1=NNC(=C1)C2=CC=C(C=C2)F)NC(=O)C3=CC(=NC=C3)N4CCCC4

DOS

IR

Vibrations