Geometry & MOs

Info

ID:	238840
PubChem CID:	93165590
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	7.23
IP(EA), eV:	-9.16(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)C(C)(C)N1[C@@H](CCC[C@@H]1C)C

DOS

IR

Vibrations