Geometry & MOs

Info

ID:	392189
PubChem CID:	135013580
Reduced:	BON2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	561.38495
ΔH_f, kcal/mol:	-103.1
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R)-3,5-dimethyltridec-1-en-4-yl] (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

B1(/C(=C\C#N)/CC(O1)(C)CCC)N(C(C)C)C(C)C

DOS

IR

Vibrations