Geometry & MOs

Info

ID:	320754
PubChem CID:	126663204
Reduced:	N5O10C35H43 (1)
Stoich.:	A5B10C35D43 (1)
Weight, g/mol:	362.241687
ΔH_f, kcal/mol:	-333.69
Dipole, Da:	5.01
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-hydroxy-3-methylbutan-2-yl)oxy-2-propan-2-yloxyethyl] 5-(2-aminoethylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC1=CC=CC(=C1)C2=NC3=C(C(=N2)N4CCOCC4)OC5=C3C=CC=N5)NC(=O)CCCC(=O)OCC(OC)OC(C)CO

DOS

IR

Vibrations