Geometry & MOs

Info

ID:	441506
PubChem CID:	135235532
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	450.179087
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	5.38
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5S,6S)-4-(hydroxymethyl)-11-methyl-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

Drug info:

PubChemData

Smile

CCCCC(CCC)C(C)C(=O)OC1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O

DOS

IR

Vibrations