Geometry & MOs

Info

ID:	326735
PubChem CID:	126688108
Reduced:	IN2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	428.311104
ΔH_f, kcal/mol:	67.96
Dipole, Da:	3.44
IP(EA), eV:	-9.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N'-[2-[(1,8-diamino-8-iminooctylidene)amino]ethyl]-2,3-dihydroxy-N-(2-methylpropyl)hexanediamide

Drug info:

PubChemData

Smile

CC1=CC2=NC=NC=C2C(=C1)I

DOS

IR

Vibrations