Geometry & MOs

Info

ID:	238846
PubChem CID:	93165596
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-185.56
Dipole, Da:	6.73
IP(EA), eV:	-9.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)CCCN1[C@@H](CCC[C@@H]1C)C

DOS

IR

Vibrations