Geometry & MOs

Info

ID:	160290
PubChem CID:	57309637
Reduced:	O4N6C13H18 (1)
Stoich.:	A4B6C13D18 (1)
Weight, g/mol:	518.237664
ΔH_f, kcal/mol:	-122.67
Dipole, Da:	2.87
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butylamino]propyl]-N-(2,3-dihydroxybenzoyl)-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3C(C([C@H](O3)CCCC(=O)N)O)O)N

DOS

IR

Vibrations