Geometry & MOs

Info

ID:	380345
PubChem CID:	134970760
Reduced:	O3N4C9H10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	469.231821
ΔH_f, kcal/mol:	41.65
Dipole, Da:	3.07
IP(EA), eV:	-10.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzenesulfonyl)-3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(CO)[N+](=O)[O-])N=[N+]=[N-]

DOS

IR

Vibrations