Geometry & MOs

Info

ID:

178382

PubChem CID:

76319541

Reduced:

N2O8C27H30 (1)

Stoich.:

A2B8C27D30 (1)

Weight, g/mol:

538.150679

ΔHf, kcal/mol:

-300.12

Dipole, Da:

10.6

IP(EA), eV:

 -9.32(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(4-chlorophenyl)-1-(furan-2-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)N2C(=O)CC(N(C2=O)CC3=CC=CC=C3O)[C@@H]4[C@@H]([C@@H]5[C@H](O4)OC(O5)(C)C)OC

DOS

IR

Vibrations