Geometry & MOs

Info

ID:	379246
PubChem CID:	134356904
Reduced:	NOSC8H17 (1)
Stoich.:	ABCD8E17 (1)
Weight, g/mol:	803.394431
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	1.77
IP(EA), eV:	-8.96(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[4-[4-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propylamino]propyl]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)S

DOS

IR

Vibrations