Geometry & MOs

Info

ID:	50468
PubChem CID:	12013009
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	510.173726
ΔH_f, kcal/mol:	-174.73
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4R,5R)-2-[4-[(4R,5R)-4,5-bis(ethoxycarbonyl)-1,3-dioxolan-2-yl]phenyl]-1,3-dioxolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N(N1C)C(=O)[C@@H](C)[C@@H](C2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4

DOS

IR

Vibrations