Geometry & MOs

Info

ID:	46733
PubChem CID:	10526781
Reduced:	F2O2N3H21C25 (1)
Stoich.:	A2B2C3D21E25 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	2.55
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S)-1-[(4R,5R)-5-(2-methylpropyl)-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CC3=C(N=CN3C4=C2C=C(C=C4)F)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations