Geometry & MOs

Info

ID:	189377
PubChem CID:	77847131
Reduced:	NSO5C27H37 (1)
Stoich.:	ABC5D27E37 (1)
Weight, g/mol:	520.246585
ΔH_f, kcal/mol:	-196.54
Dipole, Da:	4.2
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[[1-benzyl-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)NC(=O)C(=O)C1=CC=C(C=C1)COCC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations