Geometry & MOs

Info

ID:	238849
PubChem CID:	93165600
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-187.8
Dipole, Da:	7.24
IP(EA), eV:	-9.29(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-[[(2R)-3-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)[C@@H](C(C)C)N1CCC[C@@H](C1)C

DOS

IR

Vibrations