Geometry & MOs

Info

ID:	218257
PubChem CID:	85089097
Reduced:	O6N7C19H21 (1)
Stoich.:	A6B7C19D21 (1)
Weight, g/mol:	443.158017
ΔH_f, kcal/mol:	-74.81
Dipole, Da:	1.64
IP(EA), eV:	-9.23(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzoyloxy-3-(ethoxycarbonylamino)-4-hydroxy-5-(hydroxymethyl)cyclopentyl] benzoate

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN(C3=N)CC4=CC=CC=C4[N+](=O)[O-])O)O

DOS

IR

Vibrations