Geometry & MOs

Info

ID:	290954
PubChem CID:	111674356
Reduced:	O2S2N4C17H30 (1)
Stoich.:	A2B2C4D17E30 (1)
Weight, g/mol:	577.14623
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	5.91
IP(EA), eV:	-8.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)CC1=CC=CS1)NCCN2CCS(=O)(=O)CC2

DOS

IR

Vibrations