Geometry & MOs

Info

ID:	223687
PubChem CID:	85335421
Reduced:	O3F4N4H22C24 (1)
Stoich.:	A3B4C4D22E24 (1)
Weight, g/mol:	490.300264
ΔH_f, kcal/mol:	-219.89
Dipole, Da:	4.46
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[10-[carboxymethyl(methyl)amino]-10-oxodecanoyl]-methylamino]acetic acid;2,6-diaminohexanoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(C=CC=C2F)C3=CC=C(C=C3)C(C)NC(=O)C4(CC4)NC(=O)CC(F)(F)F

DOS

IR

Vibrations