Geometry & MOs

Info

ID:	380598
PubChem CID:	134971086
Reduced:	BO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	5.26
IP(EA), eV:	-7.15(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4-methoxyphenyl)methyl]-N-[(2S)-4-oxo-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

[B][C@@H]1C[C@@]2(CCC[C@H]2O)C(C1O)O

DOS

IR

Vibrations