Geometry & MOs

Info

ID:	238854
PubChem CID:	93165612
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	7.01
IP(EA), eV:	-8.87(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[[2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)C(C)(C)CN1CCC[C@@H](C1)C

DOS

IR

Vibrations