Geometry & MOs

Info

ID:	320170
PubChem CID:	126658527
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	736.346359
ΔH_f, kcal/mol:	107.25
Dipole, Da:	1.86
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-naphthalen-2-ylpropyl-[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=NC)/C(=C\C=C)/C=C1)N=C

DOS

IR

Vibrations