Geometry & MOs

Info

ID:	238868
PubChem CID:	93165638
Reduced:	N2O5C15H26 (1)
Stoich.:	A2B5C15D26 (1)
Weight, g/mol:	314.220557
ΔH_f, kcal/mol:	-244.95
Dipole, Da:	3.08
IP(EA), eV:	-9.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H]1CC(=O)N(C1)CCCOC

DOS

IR

Vibrations