Geometry & MOs

Info

ID:	44791
PubChem CID:	10505966
Reduced:	O2N3C33H43 (1)
Stoich.:	A2B3C33D43 (1)
Weight, g/mol:	514.15606
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	3.01
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4,5-bis[(1S)-1-azido-2-(3-nitrophenoxy)ethyl]-2,2-dimethyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)OC)N3C[C@@H](N(C[C@H]3C)CCC4=CC=CC=C4)C

DOS

IR

Vibrations