Geometry & MOs

Info

ID:	315385
PubChem CID:	126625785
Reduced:	ClOF3N5C22H27 (1)
Stoich.:	ABC3D5E22F27 (1)
Weight, g/mol:	428.213616
ΔH_f, kcal/mol:	-165.62
Dipole, Da:	5.42
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[N-[1,3-diamino-3-(3,5-difluorophenyl)propyl]-N'-(2-methylpropyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N/C(=N\C(CC(C1=CC=C(C=C1)Cl)N)N)/NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations