Geometry & MOs

Info

ID:	219178
PubChem CID:	85091259
Reduced:	SN6O8C32H40 (1)
Stoich.:	AB6C8D32E40 (1)
Weight, g/mol:	668.277404
ΔH_f, kcal/mol:	-307.28
Dipole, Da:	4.2
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[2-[3-[2-[4-oxo-3-(trityloxymethyl)oxetan-2-yl]ethyl]phenyl]ethyl]benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CSCC1=C2C=CC=NC2=C(C=C1)O)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations