Geometry & MOs

Info

ID:	390107
PubChem CID:	134997108
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	465.287909
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	3.16
IP(EA), eV:	-9.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C=[N+]([C@@H]([C@@H]2O1)COCC3=CC=CC=C3)[O-])C

DOS

IR

Vibrations