Geometry & MOs

Info

ID:	43786
PubChem CID:	10321790
Reduced:	NF2O5C24H35 (1)
Stoich.:	AB2C5D24E35 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-338.16
Dipole, Da:	5.8
IP(EA), eV:	-9.41(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3-phenyl-2-phenylmethoxypropyl]carbamate

Drug info:

PubChemData

Smile

COCCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CCC(OC2=CC=CC=C2)(F)F)O)O

DOS

IR

Vibrations