Geometry & MOs

Info

ID:	214796
PubChem CID:	85083657
Reduced:	N6O10C27H42 (1)
Stoich.:	A6B10C27D42 (1)
Weight, g/mol:	610.271924
ΔH_f, kcal/mol:	-443.01
Dipole, Da:	5.84
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[3-[2-[4-oxo-3-(trityloxymethyl)oxetan-2-yl]ethyl]phenyl]ethyl]benzoate

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)O)O)O)CNC(=O)NCC2=CC=C(C=C2)NC(=O)NCC3C(C(C(C(=O)N3CCC)O)O)O

DOS

IR

Vibrations